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

C16H23NO — CID 2845655

IUPAC[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
SMILESCC(=Cc1ccccc1)CN1CCCCC1CO
InChIInChI=1S/C16H23NO/c1-14(11-15-7-3-2-4-8-15)12-17-10-6-5-9-16(17)13-18/h2-4,7-8,11,16,18H,5-6,9-10,12-13H2,1H3
InChIKeyMLOARWAEWHMZBV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds4

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

[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol (PubChem CID 2845655) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
PubChem CID2845655
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
SMILESCC(=Cc1ccccc1)CN1CCCCC1CO
InChIInChI=1S/C16H23NO/c1-14(11-15-7-3-2-4-8-15)12-17-10-6-5-9-16(17)13-18/h2-4,7-8,11,16,18H,5-6,9-10,12-13H2,1H3
InChIKeyMLOARWAEWHMZBV-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867964
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 154779546
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
(4aR,7aS)-6-methyl-1-(2-methyl-3-phenylprop-2-enyl)-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-5-one
CID 154740554
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol (CID 2845655) is [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol is CC(=Cc1ccccc1)CN1CCCCC1CO.
What is the InChIKey of [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol?
The InChIKey is MLOARWAEWHMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(11-15-7-3-2-4-8-15)12-17-10-6-5-9-16(17)13-18/h2-4,7-8,11,16,18H,5-6,9-10,12-13H2,1H3.
What are the key properties of [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol?
[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol is sourced from PubChem (CID 2845655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).