3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol

C17H34N2O — CID 83995997

IUPAC3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
SMILESCC(C)CCNC1CC(CCCO)CN(CC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)7-8-18-17-10-16(4-3-9-20)12-19(13-17)11-15-5-6-15/h14-18,20H,3-13H2,1-2H3
InChIKeySDRNHJFSKMWDPA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.50
Rot. Bonds9

About 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol

3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83995997) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
PubChem CID83995997
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
SMILESCC(C)CCNC1CC(CCCO)CN(CC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)7-8-18-17-10-16(4-3-9-20)12-19(13-17)11-15-5-6-15/h14-18,20H,3-13H2,1-2H3
InChIKeySDRNHJFSKMWDPA-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991255
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
2-[1-(cyclopropylmethyl)-5-(propylamino)piperidin-3-yl]ethanol
CID 83991207
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
1-(cyclobutylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996036
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol (CID 83995997) is 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol is CC(C)CCNC1CC(CCCO)CN(CC2CC2)C1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is SDRNHJFSKMWDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)7-8-18-17-10-16(4-3-9-20)12-19(13-17)11-15-5-6-15/h14-18,20H,3-13H2,1-2H3.
What are the key properties of 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol?
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83995997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).