[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone

C17H19NO — CID 13185578

IUPAC[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
SMILESC[C@@H]1CCCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-13-7-4-5-12-18(13)17(19)16-11-6-9-14-8-2-3-10-15(14)16/h2-3,6,8-11,13H,4-5,7,12H2,1H3/t13-/m1/s1
InChIKeyGJXZWIBDWYWEHV-CYBMUJFWSA-N
MW253.35 g/mol
LogP3.85
Rot. Bonds1

About [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone

[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 13185578) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID13185578
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
SMILESC[C@@H]1CCCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-13-7-4-5-12-18(13)17(19)16-11-6-9-14-8-2-3-10-15(14)16/h2-3,6,8-11,13H,4-5,7,12H2,1H3/t13-/m1/s1
InChIKeyGJXZWIBDWYWEHV-CYBMUJFWSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[2-(chloromethyl)azepan-1-yl]-naphthalen-1-ylmethanone
CID 116639192
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone (CID 13185578) is [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone is C[C@@H]1CCCCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is GJXZWIBDWYWEHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-7-4-5-12-18(13)17(19)16-11-6-9-14-8-2-3-10-15(14)16/h2-3,6,8-11,13H,4-5,7,12H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone?
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 253.35 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 13185578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).