[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone

C19H23NO2 — CID 145118570

IUPAC[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C)C2)cc2ccccc12
InChIInChI=1S/C19H23NO2/c1-13(21)18-11-16(10-14-6-3-4-8-17(14)18)19(22)15-7-5-9-20(2)12-15/h3-4,6,8,10-11,13,15,21H,5,7,9,12H2,1-2H3
InChIKeySMDRAIALFHZCKP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.42
Rot. Bonds3

About [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone

[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 145118570) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
PubChem CID145118570
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C)C2)cc2ccccc12
InChIInChI=1S/C19H23NO2/c1-13(21)18-11-16(10-14-6-3-4-8-17(14)18)19(22)15-7-5-9-20(2)12-15/h3-4,6,8,10-11,13,15,21H,5,7,9,12H2,1-2H3
InChIKeySMDRAIALFHZCKP-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
CID 121479288
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone
CID 116917513
(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
CID 138739975
tert-butyl 3-[4-(hydroxymethyl)naphthalene-2-carbonyl]piperidine-1-carboxylate
CID 121473838
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone (CID 145118570) is [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone is CC(O)c1cc(C(=O)C2CCCN(C)C2)cc2ccccc12.
What is the InChIKey of [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is SMDRAIALFHZCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(21)18-11-16(10-14-6-3-4-8-17(14)18)19(22)15-7-5-9-20(2)12-15/h3-4,6,8,10-11,13,15,21H,5,7,9,12H2,1-2H3.
What are the key properties of [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone?
[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 145118570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).