1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine

C91H185N15 — CID 167643646

IUPAC1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine
SMILESCC(C)CN1CCC(C)CC1.CC(C)CN1CCC(CN2CC3(CN(C)C3)C2)CC1.CC(C)CN1CCN(C2CN(C)C2)CC1.CCC1CCN(CC(C)C)CC1.CCCC1CCN(CC(C)C)CC1.CCN1CC(N2CCN(CC(C)C)CC2)C1.CCN1CC2(C1)CN(CC1CCN(CC(C)C)CC1)C2
InChIInChI=1S/C17H33N3.C16H31N3.C13H27N3.C12H25N3.C12H25N.C11H23N.C10H21N/c1-4-18-11-17(12-18)13-20(14-17)10-16-5-7-19(8-6-16)9-15(2)3;1-14(2)8-18-6-4-15(5-7-18)9-19-12-16(13-19)10-17(3)11-16;1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3;1-11(2)8-14-4-6-15(7-5-14)12-9-13(3)10-12;1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-11-6-4-10(3)5-7-11/h15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyPNJJTZNOSNXMLM-UHFFFAOYSA-N
MW1489.59 g/mol
LogP13.43
Rot. Bonds25

About 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine

1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine (PubChem CID 167643646) has the molecular formula C91H185N15 and a molecular weight of 1489.59 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine
PubChem CID167643646
Molecular FormulaC91H185N15
Molecular Weight1489.59 g/mol
Exact Mass1488.49
IUPAC Name1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine
SMILESCC(C)CN1CCC(C)CC1.CC(C)CN1CCC(CN2CC3(CN(C)C3)C2)CC1.CC(C)CN1CCN(C2CN(C)C2)CC1.CCC1CCN(CC(C)C)CC1.CCCC1CCN(CC(C)C)CC1.CCN1CC(N2CCN(CC(C)C)CC2)C1.CCN1CC2(C1)CN(CC1CCN(CC(C)C)CC1)C2
InChIInChI=1S/C17H33N3.C16H31N3.C13H27N3.C12H25N3.C12H25N.C11H23N.C10H21N/c1-4-18-11-17(12-18)13-20(14-17)10-16-5-7-19(8-6-16)9-15(2)3;1-14(2)8-18-6-4-15(5-7-18)9-19-12-16(13-19)10-17(3)11-16;1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3;1-11(2)8-14-4-6-15(7-5-14)12-9-13(3)10-12;1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-11-6-4-10(3)5-7-11/h15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyPNJJTZNOSNXMLM-UHFFFAOYSA-N
XLogP13.43
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.59
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine with MolForge

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Related Compounds

Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 164982093
Bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 164989090
Bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 165044151
3,3-Difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
CID 167585174
5,5-Difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-[2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine;2,6-dimethyl-1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperidine;7-[2-[1-(2-methylpropyl)azetidin-3-yl]propan-2-yl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 168409339
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Hexadecyl-4-[3-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2-methylpropyl]-1,4-diazoniabicyclo[2.2.2]octane;1-hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane;1-methyl-3-propyl-1,3-diazoniabicyclo[1.1.1]pentane
CID 91297798
6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-[5-[4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 134414395
6-[(3S)-3-[[4-(4-tert-butylpiperazin-1-yl)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]-1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[5-[4-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 134492951
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605
6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 146549772
2-[5-[4-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 155077049

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine (CID 167643646) is 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine is CC(C)CN1CCC(C)CC1.CC(C)CN1CCC(CN2CC3(CN(C)C3)C2)CC1.CC(C)CN1CCN(C2CN(C)C2)CC1.CCC1CCN(CC(C)C)CC1.CCCC1CCN(CC(C)C)CC1.CCN1CC(N2CCN(CC(C)C)CC2)C1.CCN1CC2(C1)CN(CC1CCN(CC(C)C)CC1)C2.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine?
The InChIKey is PNJJTZNOSNXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3.C16H31N3.C13H27N3.C12H25N3.C12H25N.C11H23N.C10H21N/c1-4-18-11-17(12-18)13-20(14-17)10-16-5-7-19(8-6-16)9-15(2)3;1-14(2)8-18-6-4-15(5-7-18)9-19-12-16(13-19)10-17(3)11-16;1-4-14-10-13(11-14)16-7-5-15(6-8-16)9-12(2)3;1-11(2)8-14-4-6-15(7-5-14)12-9-13(3)10-12;1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-11-6-4-10(3)5-7-11/h15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine?
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine has a molecular weight of 1489.59 g/mol, XLogP of 13.43, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-ethyl-1-(2-methylpropyl)piperidine;6-ethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(1-methylazetidin-3-yl)-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;6-methyl-2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptane;1-(2-methylpropyl)-4-propylpiperidine is sourced from PubChem (CID 167643646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).