3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

C20H38N2O — CID 83998736

IUPAC3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CC(N2CC(CCCO)CC(NCC3CCCCC3)C2)C1
InChIInChI=1S/C20H38N2O/c1-16-10-20(11-16)22-14-18(8-5-9-23)12-19(15-22)21-13-17-6-3-2-4-7-17/h16-21,23H,2-15H2,1H3
InChIKeyKNFLCZUZDPUBBN-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.42
Rot. Bonds7

About 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (PubChem CID 83998736) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
PubChem CID83998736
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CC(N2CC(CCCO)CC(NCC3CCCCC3)C2)C1
InChIInChI=1S/C20H38N2O/c1-16-10-20(11-16)22-14-18(8-5-9-23)12-19(15-22)21-13-17-6-3-2-4-7-17/h16-21,23H,2-15H2,1H3
InChIKeyKNFLCZUZDPUBBN-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83999427
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
3-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996650
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83997348
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
N-(cyclopentylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83998037
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542404
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (CID 83998736) is 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is CC1CC(N2CC(CCCO)CC(NCC3CCCCC3)C2)C1.
What is the InChIKey of 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The InChIKey is KNFLCZUZDPUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-16-10-20(11-16)22-14-18(8-5-9-23)12-19(15-22)21-13-17-6-3-2-4-7-17/h16-21,23H,2-15H2,1H3.
What are the key properties of 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol has a molecular weight of 322.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83998736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).