[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

C18H26N2O2 — CID 60527564

IUPAC[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCCC(O)C2)c1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-17-8-5-9-19(14-17)13-15-6-4-7-16(12-15)18(22)20-10-2-1-3-11-20/h4,6-7,12,17,21H,1-3,5,8-11,13-14H2
InChIKeyGGJKNKGUMNEKOH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds3

About [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 60527564) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID60527564
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCCC(O)C2)c1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-17-8-5-9-19(14-17)13-15-6-4-7-16(12-15)18(22)20-10-2-1-3-11-20/h4,6-7,12,17,21H,1-3,5,8-11,13-14H2
InChIKeyGGJKNKGUMNEKOH-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 95578552
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119486463
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119486462
[3-(azepan-1-ylmethyl)phenyl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 135115736

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (CID 60527564) is [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN2CCCC(O)C2)c1)N1CCCCC1.
What is the InChIKey of [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is GGJKNKGUMNEKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-8-5-9-19(14-17)13-15-6-4-7-16(12-15)18(22)20-10-2-1-3-11-20/h4,6-7,12,17,21H,1-3,5,8-11,13-14H2.
What are the key properties of [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60527564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).