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

C18H28N2O2 — CID 83993718

IUPAC1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C18H28N2O2/c1-3-7-18(22)20-12-16(14(2)21)10-17(13-20)19-11-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19,21H,3,7,10-13H2,1-2H3
InChIKeyDWGXJEOVHXDMEE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.17
Rot. Bonds6

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

1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 83993718) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
PubChem CID83993718
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C18H28N2O2/c1-3-7-18(22)20-12-16(14(2)21)10-17(13-20)19-11-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19,21H,3,7,10-13H2,1-2H3
InChIKeyDWGXJEOVHXDMEE-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83997868
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 112541586
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one (CID 83993718) is 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1.
What is the InChIKey of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is DWGXJEOVHXDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-7-18(22)20-12-16(14(2)21)10-17(13-20)19-11-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19,21H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.17, 6 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]butan-1-one is sourced from PubChem (CID 83993718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).