3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one

C15H22N2O — CID 117368627

IUPAC3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
SMILESCN1CCC(c2ccc(C(=O)CCN)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-17-10-7-13(8-11-17)12-2-4-14(5-3-12)15(18)6-9-16/h2-5,13H,6-11,16H2,1H3
InChIKeyUAMDPAQXMRSVSR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one

3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one (PubChem CID 117368627) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
PubChem CID117368627
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
SMILESCN1CCC(c2ccc(C(=O)CCN)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-17-10-7-13(8-11-17)12-2-4-14(5-3-12)15(18)6-9-16/h2-5,13H,6-11,16H2,1H3
InChIKeyUAMDPAQXMRSVSR-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
CID 101453044
3-amino-1-[4-(thian-4-yl)phenyl]propan-1-one
CID 117377608
1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
CID 827253
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
3-amino-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]propan-1-one
CID 117399875
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-methyl-1,3-dihydroisoindol-5-yl)butane-1,4-dione
CID 21108281
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988137

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one (CID 117368627) is 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one is CN1CCC(c2ccc(C(=O)CCN)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one?
The InChIKey is UAMDPAQXMRSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-10-7-13(8-11-17)12-2-4-14(5-3-12)15(18)6-9-16/h2-5,13H,6-11,16H2,1H3.
What are the key properties of 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one?
3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one is sourced from PubChem (CID 117368627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).