(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol

C15H21NO — CID 30981090

IUPAC(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
SMILESC/C(=C\c1ccccc1)CN1CCC[C@H](O)C1
InChIInChI=1S/C15H21NO/c1-13(10-14-6-3-2-4-7-14)11-16-9-5-8-15(17)12-16/h2-4,6-7,10,15,17H,5,8-9,11-12H2,1H3/b13-10+/t15-/m0/s1
InChIKeyGHLAWSWLBBYGOW-VOMSXAGXSA-N
MW231.34 g/mol
LogP2.55
Rot. Bonds3

About (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol

(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol (PubChem CID 30981090) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
PubChem CID30981090
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
SMILESC/C(=C\c1ccccc1)CN1CCC[C@H](O)C1
InChIInChI=1S/C15H21NO/c1-13(10-14-6-3-2-4-7-14)11-16-9-5-8-15(17)12-16/h2-4,6-7,10,15,17H,5,8-9,11-12H2,1H3/b13-10+/t15-/m0/s1
InChIKeyGHLAWSWLBBYGOW-VOMSXAGXSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol (CID 30981090) is (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol is C/C(=C\c1ccccc1)CN1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol?
The InChIKey is GHLAWSWLBBYGOW-VOMSXAGXSA-N. The full InChI is InChI=1S/C15H21NO/c1-13(10-14-6-3-2-4-7-14)11-16-9-5-8-15(17)12-16/h2-4,6-7,10,15,17H,5,8-9,11-12H2,1H3/b13-10+/t15-/m0/s1.
What are the key properties of (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol?
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol is sourced from PubChem (CID 30981090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).