[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol

C16H23NO — CID 176706114

IUPAC[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
SMILESOC[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1
InChIInChI=1S/C16H23NO/c18-12-14-8-9-17(16(10-14)15-6-7-15)11-13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2/t14-,16+/m1/s1
InChIKeyOLBIFDJWQSCTAW-ZBFHGGJFSA-N
MW245.37 g/mol
LogP2.67
Rot. Bonds4

About [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol

[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol (PubChem CID 176706114) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
PubChem CID176706114
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
SMILESOC[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1
InChIInChI=1S/C16H23NO/c18-12-14-8-9-17(16(10-14)15-6-7-15)11-13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2/t14-,16+/m1/s1
InChIKeyOLBIFDJWQSCTAW-ZBFHGGJFSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
CID 82380236
methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate
CID 176650201
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421
(3aR,7aR)-1,5-dibenzyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 18717968
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
(3aR,9aR)-1-benzyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
CID 54235385
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol?
The IUPAC name of [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol (CID 176706114) is [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol?
The canonical SMILES for [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol is OC[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1.
What is the InChIKey of [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol?
The InChIKey is OLBIFDJWQSCTAW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H23NO/c18-12-14-8-9-17(16(10-14)15-6-7-15)11-13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2/t14-,16+/m1/s1.
What are the key properties of [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol?
[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol is sourced from PubChem (CID 176706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).