3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol

C16H30N2O — CID 103271380

IUPAC3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)=CCN1CCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)5-8-18-9-6-15(7-10-18)17-12-14-3-4-16(19)11-14/h5,14-17,19H,3-4,6-12H2,1-2H3
InChIKeyPQJDVSUJKFCEBC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.17
Rot. Bonds5

About 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 103271380) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID103271380
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)=CCN1CCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)5-8-18-9-6-15(7-10-18)17-12-14-3-4-16(19)11-14/h5,14-17,19H,3-4,6-12H2,1-2H3
InChIKeyPQJDVSUJKFCEBC-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
CID 106120879
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 103778951
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892408
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
CID 66177156
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 103271380) is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol is CC(C)=CCN1CCC(NCC2CCC(O)C2)CC1.
What is the InChIKey of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is PQJDVSUJKFCEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)5-8-18-9-6-15(7-10-18)17-12-14-3-4-16(19)11-14/h5,14-17,19H,3-4,6-12H2,1-2H3.
What are the key properties of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).