[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol

C16H23NO2 — CID 6293793

IUPAC[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESCOc1ccccc1/C=C/CN1CCCCC1CO
InChIInChI=1S/C16H23NO2/c1-19-16-10-3-2-7-14(16)8-6-12-17-11-5-4-9-15(17)13-18/h2-3,6-8,10,15,18H,4-5,9,11-13H2,1H3/b8-6+
InChIKeyPWTNKKDAYSEBFQ-SOFGYWHQSA-N
MW261.37 g/mol
LogP2.56
Rot. Bonds5

About [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol

[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol (PubChem CID 6293793) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
PubChem CID6293793
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESCOc1ccccc1/C=C/CN1CCCCC1CO
InChIInChI=1S/C16H23NO2/c1-19-16-10-3-2-7-14(16)8-6-12-17-11-5-4-9-15(17)13-18/h2-3,6-8,10,15,18H,4-5,9,11-13H2,1H3/b8-6+
InChIKeyPWTNKKDAYSEBFQ-SOFGYWHQSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124824404
(3R,8aR)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603759
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
CID 167820392
[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
CID 171138106
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 126795170
(3aR,5R,6R,7aS)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172672073

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol (CID 6293793) is [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol is COc1ccccc1/C=C/CN1CCCCC1CO.
What is the InChIKey of [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol?
The InChIKey is PWTNKKDAYSEBFQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-10-3-2-7-14(16)8-6-12-17-11-5-4-9-15(17)13-18/h2-3,6-8,10,15,18H,4-5,9,11-13H2,1H3/b8-6+.
What are the key properties of [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol?
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol has a molecular weight of 261.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol is sourced from PubChem (CID 6293793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).