1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

C90H179N15O7 — CID 158586047

IUPAC1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(CC2CCOCC2)C1.CC(C)N1CCN(CC2CCCCO2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CC2CCOCC2)CC1.CC(C)N1CCN(CC2COC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O.C13H27N3O.2C13H26N2O.C13H25NO.C12H24N2O.C11H22N2O/c1-13(2)17-10-8-16(9-11-17)12-15-4-6-18(7-5-15)14(3)19;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)15-7-5-14(6-8-15)11-13-3-9-16-10-4-13;1-12(2)15-8-6-14(7-9-15)11-13-5-3-4-10-16-13;1-11(2)13-3-6-14(10-13)9-12-4-7-15-8-5-12;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-10(2)13-5-3-12(4-6-13)7-11-8-14-9-11/h13,15H,4-12H2,1-3H3;13H,3-12H2,1-2H3;2*12-13H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3
InChIKeyHTVKLCHGACNWMB-UHFFFAOYSA-N
MW1583.52 g/mol
LogP8.73
Rot. Bonds22

About 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 158586047) has the molecular formula C90H179N15O7 and a molecular weight of 1583.52 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID158586047
Molecular FormulaC90H179N15O7
Molecular Weight1583.52 g/mol
Exact Mass1582.41
IUPAC Name1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(CC2CCOCC2)C1.CC(C)N1CCN(CC2CCCCO2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CC2CCOCC2)CC1.CC(C)N1CCN(CC2COC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O.C13H27N3O.2C13H26N2O.C13H25NO.C12H24N2O.C11H22N2O/c1-13(2)17-10-8-16(9-11-17)12-15-4-6-18(7-5-15)14(3)19;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)15-7-5-14(6-8-15)11-13-3-9-16-10-4-13;1-12(2)15-8-6-14(7-9-15)11-13-5-3-4-10-16-13;1-11(2)13-3-6-14(10-13)9-12-4-7-15-8-5-12;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-10(2)13-5-3-12(4-6-13)7-11-8-14-9-11/h13,15H,4-12H2,1-3H3;13H,3-12H2,1-2H3;2*12-13H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3
InChIKeyHTVKLCHGACNWMB-UHFFFAOYSA-N
XLogP8.73
TPSA121.05 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.52
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-4-(3-methylbutyl)piperazine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,4-di(propan-2-yl)piperidine;1-ethyl-4-propan-2-ylpiperidine;1-(2-methoxyethyl)-4-propan-2-ylpiperidine;1-(2-methoxyethyl)-3-propan-2-ylpyrrolidine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(oxan-4-yl)-4-propan-2-ylpiperidine;4-propan-2-yloxane;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;(2S,6R)-1,2,6-trimethyl-4-(3-methylbutyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperidine
CID 157125396
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-3-propan-2-ylazetidine;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 162255478
1-cyclopropyl-4-(3-methylbutyl)piperazine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,4-di(propan-2-yl)piperidine;1-ethyl-4-propan-2-ylpiperidine;1-(2-methoxyethyl)-4-propan-2-ylpiperidine;1-(2-methoxyethyl)-3-propan-2-ylpyrrolidine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(oxan-4-yl)-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-yloxane;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;(2R,6S)-1,2,6-trimethyl-4-(3-methylbutyl)piperazine;(2R,6S)-1,2,6-trimethyl-4-propan-2-ylpiperidine
CID 164971749

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (CID 158586047) is 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(CC2CCOCC2)C1.CC(C)N1CCN(CC2CCCCO2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CC2CCOCC2)CC1.CC(C)N1CCN(CC2COC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is HTVKLCHGACNWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C13H27N3O.2C13H26N2O.C13H25NO.C12H24N2O.C11H22N2O/c1-13(2)17-10-8-16(9-11-17)12-15-4-6-18(7-5-15)14(3)19;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)15-7-5-14(6-8-15)11-13-3-9-16-10-4-13;1-12(2)15-8-6-14(7-9-15)11-13-5-3-4-10-16-13;1-11(2)13-3-6-14(10-13)9-12-4-7-15-8-5-12;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-10(2)13-5-3-12(4-6-13)7-11-8-14-9-11/h13,15H,4-12H2,1-3H3;13H,3-12H2,1-2H3;2*12-13H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3.
What are the key properties of 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 1583.52 g/mol, XLogP of 8.73, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-4-propan-2-ylpiperazine;1-(oxan-4-ylmethyl)-3-propan-2-ylpyrrolidine;1-(oxetan-3-ylmethyl)-4-propan-2-ylpiperazine;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158586047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).