1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone

C14H26N2O2 — CID 83991645

IUPAC1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
SMILESCCC(O)CC1CC(NC2CC2)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O2/c1-3-14(18)7-11-6-13(15-12-4-5-12)9-16(8-11)10(2)17/h11-15,18H,3-9H2,1-2H3
InChIKeyNYHFPEQAZJLZSK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone

1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone (PubChem CID 83991645) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
PubChem CID83991645
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
SMILESCCC(O)CC1CC(NC2CC2)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O2/c1-3-14(18)7-11-6-13(15-12-4-5-12)9-16(8-11)10(2)17/h11-15,18H,3-9H2,1-2H3
InChIKeyNYHFPEQAZJLZSK-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83999141
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
1-[1-cyclobutyl-5-(cyclohexylamino)piperidin-3-yl]butan-2-ol
CID 83999419
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
3-(cyclopropylamino)-5-(2-cyclopropyl-2-hydroxyethyl)piperidine-1-carboxamide
CID 83991623
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 83996454
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone (CID 83991645) is 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone is CCC(O)CC1CC(NC2CC2)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone?
The InChIKey is NYHFPEQAZJLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-14(18)7-11-6-13(15-12-4-5-12)9-16(8-11)10(2)17/h11-15,18H,3-9H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone?
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 83991645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).