1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol

C17H32N2O — CID 83996673

IUPAC1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CC2)CN(C2CCC2C)C1
InChIInChI=1S/C17H32N2O/c1-3-17(20)14-8-15(18-9-13-5-6-13)11-19(10-14)16-7-4-12(16)2/h12-18,20H,3-11H2,1-2H3
InChIKeyOPCAHFYAWRMVNZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.25
Rot. Bonds6

About 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol

1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol (PubChem CID 83996673) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
PubChem CID83996673
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CC2)CN(C2CCC2C)C1
InChIInChI=1S/C17H32N2O/c1-3-17(20)14-8-15(18-9-13-5-6-13)11-19(10-14)16-7-4-12(16)2/h12-18,20H,3-11H2,1-2H3
InChIKeyOPCAHFYAWRMVNZ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 112541490
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
1-[1-cyclopropyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995239
methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112543405
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol (CID 83996673) is 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC2CC2)CN(C2CCC2C)C1.
What is the InChIKey of 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The InChIKey is OPCAHFYAWRMVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-17(20)14-8-15(18-9-13-5-6-13)11-19(10-14)16-7-4-12(16)2/h12-18,20H,3-11H2,1-2H3.
What are the key properties of 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83996673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).