1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine

C61H130N8 — CID 159863121

IUPAC1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)CC1CCN(C(C)C)CC1.CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2.C13H27N.C12H26N2.C12H25N.C11H24N2/c1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;2*1-10(2)9-12-5-7-13(8-6-12)11(3)4/h12-13H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyNRJZYLRTUCJEIQ-UHFFFAOYSA-N
MW975.77 g/mol
LogP12.87
Rot. Bonds19

About 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine

1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine (PubChem CID 159863121) has the molecular formula C61H130N8 and a molecular weight of 975.77 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
PubChem CID159863121
Molecular FormulaC61H130N8
Molecular Weight975.77 g/mol
Exact Mass975.04
IUPAC Name1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)CC1CCN(C(C)C)CC1.CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2.C13H27N.C12H26N2.C12H25N.C11H24N2/c1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;2*1-10(2)9-12-5-7-13(8-6-12)11(3)4/h12-13H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyNRJZYLRTUCJEIQ-UHFFFAOYSA-N
XLogP12.87
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.77
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine 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);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
2-(1-Azabicyclo[2.2.2]octan-2-yl)-1-azabicyclo[2.2.2]octane
CID 19833051
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-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1,4-Diazabicyclo[2.2.2]octane;2-pentyl-1,4-diazabicyclo[2.2.2]octane
CID 66810183
2-[8-(1-Azabicyclo[2.2.2]octan-2-yl)octyl]-1-azabicyclo[2.2.2]octane
CID 67223616
1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 67680689
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680691
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The IUPAC name of 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine (CID 159863121) is 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine is CC(C)CC1CCN(C(C)C)CC1.CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The InChIKey is NRJZYLRTUCJEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C13H27N.C12H26N2.C12H25N.C11H24N2/c1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;2*1-10(2)9-12-5-7-13(8-6-12)11(3)4/h12-13H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine?
1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine has a molecular weight of 975.77 g/mol, XLogP of 12.87, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-propan-2-ylpiperazine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;4-(2-methylpropyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 159863121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).