1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

C18H36N2O — CID 83997701

IUPAC1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CCCC2)CN(CC(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-18(21)16-9-17(13-20(12-16)11-14(2)3)19-10-15-7-5-6-8-15/h14-19,21H,4-13H2,1-3H3
InChIKeyHWTGINAAIMVSRP-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.88
Rot. Bonds7

About 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (PubChem CID 83997701) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
PubChem CID83997701
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CCCC2)CN(CC(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-18(21)16-9-17(13-20(12-16)11-14(2)3)19-10-15-7-5-6-8-15/h14-19,21H,4-13H2,1-3H3
InChIKeyHWTGINAAIMVSRP-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83992859
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 112541490
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83996673

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (CID 83997701) is 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC2CCCC2)CN(CC(C)C)C1.
What is the InChIKey of 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The InChIKey is HWTGINAAIMVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-18(21)16-9-17(13-20(12-16)11-14(2)3)19-10-15-7-5-6-8-15/h14-19,21H,4-13H2,1-3H3.
What are the key properties of 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83997701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).