[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol

C15H21NO — CID 129367097

IUPAC[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-13-15-9-5-11-16(12-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15,17H,5,9-13H2/b8-4+/t15-/m1/s1
InChIKeyIOOAFNHLWLQSMN-SGJXGLNRSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds4

About [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol

[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol (PubChem CID 129367097) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
PubChem CID129367097
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-13-15-9-5-11-16(12-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15,17H,5,9-13H2/b8-4+/t15-/m1/s1
InChIKeyIOOAFNHLWLQSMN-SGJXGLNRSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
CID 63845047
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
CID 66570063
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 45229056
4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine
CID 74242201

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol (CID 129367097) is [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The InChIKey is IOOAFNHLWLQSMN-SGJXGLNRSA-N. The full InChI is InChI=1S/C15H21NO/c17-13-15-9-5-11-16(12-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15,17H,5,9-13H2/b8-4+/t15-/m1/s1.
What are the key properties of [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 129367097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).