1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one

C19H22ClNO — CID 12952373

IUPAC1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C19H22ClNO/c1-14(13-21-9-3-2-4-10-21)19(22)17-6-5-16-12-18(20)8-7-15(16)11-17/h5-8,11-12,14H,2-4,9-10,13H2,1H3
InChIKeySXGPVLLJPNUVPF-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.80
Rot. Bonds4

About 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 12952373) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID12952373
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C19H22ClNO/c1-14(13-21-9-3-2-4-10-21)19(22)17-6-5-16-12-18(20)8-7-15(16)11-17/h5-8,11-12,14H,2-4,9-10,13H2,1H3
InChIKeySXGPVLLJPNUVPF-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 10825696
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952367
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467
(Z)-but-2-enedioic acid;(2S)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 56960042
1-methyl-6-(2-methyl-3-piperidin-1-ylpropanoyl)-3,4-dihydroquinolin-2-one
CID 70580786
(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
CID 97355460
(E)-but-2-enedioic acid;1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 67426641
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 139929661

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 12952373) is 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one is CC(CN1CCCCC1)C(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is SXGPVLLJPNUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14(13-21-9-3-2-4-10-21)19(22)17-6-5-16-12-18(20)8-7-15(16)11-17/h5-8,11-12,14H,2-4,9-10,13H2,1H3.
What are the key properties of 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 315.84 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 12952373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).