1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride

C18H22ClNO — CID 2845131

IUPAC1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccc2ccccc2c1)N1CCCCC1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14(19-11-5-2-6-12-19)18(20)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3;1H
InChIKeyIZEJWDKKTLBBBE-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.32
Rot. Bonds3

About 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride

1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 2845131) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID2845131
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccc2ccccc2c1)N1CCCCC1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14(19-11-5-2-6-12-19)18(20)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3;1H
InChIKeyIZEJWDKKTLBBBE-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
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CID 21114962
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
1-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-one
CID 45141805
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
(E)-but-2-enedioic acid;1-(3-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 45142018

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride (CID 2845131) is 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride is CC(C(=O)c1ccc2ccccc2c1)N1CCCCC1.Cl.
What is the InChIKey of 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is IZEJWDKKTLBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-14(19-11-5-2-6-12-19)18(20)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3;1H.
What are the key properties of 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride?
1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2845131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).