1-benzyl-4-piperidin-1-ylpiperidin-3-ol

C17H26N2O — CID 67311835

IUPAC1-benzyl-4-piperidin-1-ylpiperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2
InChIKeyQVRTZBNGUWSXAW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.11
Rot. Bonds3

About 1-benzyl-4-piperidin-1-ylpiperidin-3-ol

1-benzyl-4-piperidin-1-ylpiperidin-3-ol (PubChem CID 67311835) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzyl-4-piperidin-1-ylpiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-piperidin-1-ylpiperidin-3-ol
PubChem CID67311835
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-benzyl-4-piperidin-1-ylpiperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2
InChIKeyQVRTZBNGUWSXAW-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
CID 134324909
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
(3R,4R)-1-[(4-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 10410357
(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 133118132
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792
(3R,4R)-4-(azepan-1-yl)-1-(1-benzofuran-2-ylmethyl)piperidin-3-ol
CID 42196111
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R)-1-benzylazepan-3-ol
CID 124585423
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-piperidin-1-ylpiperidin-3-ol?
The IUPAC name of 1-benzyl-4-piperidin-1-ylpiperidin-3-ol (CID 67311835) is 1-benzyl-4-piperidin-1-ylpiperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-piperidin-1-ylpiperidin-3-ol?
The canonical SMILES for 1-benzyl-4-piperidin-1-ylpiperidin-3-ol is OC1CN(Cc2ccccc2)CCC1N1CCCCC1.
What is the InChIKey of 1-benzyl-4-piperidin-1-ylpiperidin-3-ol?
The InChIKey is QVRTZBNGUWSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2.
What are the key properties of 1-benzyl-4-piperidin-1-ylpiperidin-3-ol?
1-benzyl-4-piperidin-1-ylpiperidin-3-ol has a molecular weight of 274.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-piperidin-1-ylpiperidin-3-ol is sourced from PubChem (CID 67311835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).