1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol

C18H36N2O — CID 83997066

IUPAC1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(NCC2CCC2)CN(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-13(2)18(21)9-16-8-17(12-20(11-16)14(3)4)19-10-15-6-5-7-15/h13-19,21H,5-12H2,1-4H3
InChIKeyPWLNHOZZDSLARG-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.88
Rot. Bonds7

About 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol

1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol (PubChem CID 83997066) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
PubChem CID83997066
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(NCC2CCC2)CN(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-13(2)18(21)9-16-8-17(12-20(11-16)14(3)4)19-10-15-6-5-7-15/h13-19,21H,5-12H2,1-4H3
InChIKeyPWLNHOZZDSLARG-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

1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83998440
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83989078
1-cyclopropyl-2-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83994301
1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol (CID 83997066) is 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol is CC(C)C(O)CC1CC(NCC2CCC2)CN(C(C)C)C1.
What is the InChIKey of 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol?
The InChIKey is PWLNHOZZDSLARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-13(2)18(21)9-16-8-17(12-20(11-16)14(3)4)19-10-15-6-5-7-15/h13-19,21H,5-12H2,1-4H3.
What are the key properties of 1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol?
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-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-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 83997066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).