[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

C25H27NO2 — CID 42191937

IUPAC[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C25H27NO2/c27-19-25(14-13-20-7-2-1-3-8-20)15-17-26(18-16-25)24(28)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,27H,13-19H2
InChIKeyAGOYHZRSDZXXRZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.69
Rot. Bonds5

About [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 42191937) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID42191937
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C25H27NO2/c27-19-25(14-13-20-7-2-1-3-8-20)15-17-26(18-16-25)24(28)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,27H,13-19H2
InChIKeyAGOYHZRSDZXXRZ-UHFFFAOYSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 67393097
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 29085018
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 108547203
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (CID 42191937) is [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCC(CO)(CCc2ccccc2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is AGOYHZRSDZXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-19-25(14-13-20-7-2-1-3-8-20)15-17-26(18-16-25)24(28)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,27H,13-19H2.
What are the key properties of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 42191937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).