[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone

C24H30N2O2 — CID 45210373

IUPAC[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCCC(N2CCC(CO)CC2)C1
InChIInChI=1S/C24H30N2O2/c27-18-19-11-14-25(15-12-19)23-10-5-13-26(17-23)24(28)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,16,19,23,27H,5,10-15,17-18H2
InChIKeyBWALJTMJCVZGKJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.66
Rot. Bonds4

About [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone

[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone (PubChem CID 45210373) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
PubChem CID45210373
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCCC(N2CCC(CO)CC2)C1
InChIInChI=1S/C24H30N2O2/c27-18-19-11-14-25(15-12-19)23-10-5-13-26(17-23)24(28)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,16,19,23,27H,5,10-15,17-18H2
InChIKeyBWALJTMJCVZGKJ-UHFFFAOYSA-N
XLogP3.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 56885612
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one
CID 26316227
4-[3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-2-chlorobenzonitrile
CID 126451298
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)benzenecarbothioamide
CID 63151506
[3-[4-(1-hydroxyethyl)phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 119068135
[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 126441230
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129

Frequently Asked Questions

What is the IUPAC name of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone?
The IUPAC name of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone (CID 45210373) is [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone.
What is the SMILES notation for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone?
The canonical SMILES for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1)N1CCCC(N2CCC(CO)CC2)C1.
What is the InChIKey of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone?
The InChIKey is BWALJTMJCVZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-18-19-11-14-25(15-12-19)23-10-5-13-26(17-23)24(28)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,16,19,23,27H,5,10-15,17-18H2.
What are the key properties of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone?
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone is sourced from PubChem (CID 45210373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).