1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride

C14H20ClNO — CID 21114970

IUPAC1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(N2CCCCC2)c1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-2-14(16)12-7-6-8-13(11-12)15-9-4-3-5-10-15;/h6-8,11H,2-5,9-10H2,1H3;1H
InChIKeyQTVQMVPLPZKDAK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride

1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride (PubChem CID 21114970) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
PubChem CID21114970
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(N2CCCCC2)c1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-2-14(16)12-7-6-8-13(11-12)15-9-4-3-5-10-15;/h6-8,11H,2-5,9-10H2,1H3;1H
InChIKeyQTVQMVPLPZKDAK-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
CID 122412871
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
CID 170862215
1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 70542722
3-methyl-1-[4-(3-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 166101353
3-piperidin-1-ylbenzenecarbothioamide
CID 39244570
1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82113955
1-(3-methylphenyl)piperidine;propane
CID 143942273
(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
CID 136553816
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride (CID 21114970) is 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride is CCC(=O)c1cccc(N2CCCCC2)c1.Cl.
What is the InChIKey of 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride?
The InChIKey is QTVQMVPLPZKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-2-14(16)12-7-6-8-13(11-12)15-9-4-3-5-10-15;/h6-8,11H,2-5,9-10H2,1H3;1H.
What are the key properties of 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride?
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 21114970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).