1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

C17H26N2O2 — CID 83993705

IUPAC1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C17H26N2O2/c1-3-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-5-4-6-8-14/h4-8,13,15-16,18,20H,3,9-12H2,1-2H3
InChIKeyPHPOYJKQQPRBJI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.78
Rot. Bonds5

About 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 83993705) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID83993705
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C17H26N2O2/c1-3-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-5-4-6-8-14/h4-8,13,15-16,18,20H,3,9-12H2,1-2H3
InChIKeyPHPOYJKQQPRBJI-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 83993705) is 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1.
What is the InChIKey of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is PHPOYJKQQPRBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-5-4-6-8-14/h4-8,13,15-16,18,20H,3,9-12H2,1-2H3.
What are the key properties of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).