1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

C19H30N2O — CID 83993753

IUPAC1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCc2ccccc2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C19H30N2O/c1-4-8-17-11-18(14-21(13-17)19(22)15(2)3)20-12-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,20H,4,8,11-14H2,1-3H3
InChIKeyKNGRLJADWXZJHE-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.45
Rot. Bonds6

About 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83993753) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83993753
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCc2ccccc2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C19H30N2O/c1-4-8-17-11-18(14-21(13-17)19(22)15(2)3)20-12-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,20H,4,8,11-14H2,1-3H3
InChIKeyKNGRLJADWXZJHE-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
3-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]propanoic acid
CID 83993818
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (CID 83993753) is 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is CCCC1CC(NCc2ccccc2)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KNGRLJADWXZJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-8-17-11-18(14-21(13-17)19(22)15(2)3)20-12-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,20H,4,8,11-14H2,1-3H3.
What are the key properties of 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83993753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).