[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol

C16H23NO — CID 117118115

IUPAC[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
SMILESOCC1(c2ccccc2CC2CCCCN2)CC1
InChIInChI=1S/C16H23NO/c18-12-16(8-9-16)15-7-2-1-5-13(15)11-14-6-3-4-10-17-14/h1-2,5,7,14,17-18H,3-4,6,8-12H2
InChIKeyZNTMYEIJGILIFM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.40
Rot. Bonds4

About [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol

[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol (PubChem CID 117118115) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
PubChem CID117118115
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
SMILESOCC1(c2ccccc2CC2CCCCN2)CC1
InChIInChI=1S/C16H23NO/c18-12-16(8-9-16)15-7-2-1-5-13(15)11-14-6-3-4-10-17-14/h1-2,5,7,14,17-18H,3-4,6,8-12H2
InChIKeyZNTMYEIJGILIFM-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365

Frequently Asked Questions

What is the IUPAC name of [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol?
The IUPAC name of [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol (CID 117118115) is [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol?
The canonical SMILES for [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol is OCC1(c2ccccc2CC2CCCCN2)CC1.
What is the InChIKey of [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol?
The InChIKey is ZNTMYEIJGILIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-12-16(8-9-16)15-7-2-1-5-13(15)11-14-6-3-4-10-17-14/h1-2,5,7,14,17-18H,3-4,6,8-12H2.
What are the key properties of [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol?
[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol is sourced from PubChem (CID 117118115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).