1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol

C16H23NO — CID 117365849

IUPAC1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCC(c2ccccc2CC2(O)CC2)CC1
InChIInChI=1S/C16H23NO/c1-17-10-6-13(7-11-17)15-5-3-2-4-14(15)12-16(18)8-9-16/h2-5,13,18H,6-12H2,1H3
InChIKeyXODCJPQFCRNPPG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.56
Rot. Bonds3

About 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol

1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117365849) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117365849
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCC(c2ccccc2CC2(O)CC2)CC1
InChIInChI=1S/C16H23NO/c1-17-10-6-13(7-11-17)15-5-3-2-4-14(15)12-16(18)8-9-16/h2-5,13,18H,6-12H2,1H3
InChIKeyXODCJPQFCRNPPG-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
CID 58103875
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
CID 12542639
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
CID 65075284
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756
[2-(1-chloropiperidin-4-yl)phenyl]methanol
CID 88589238
1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117374015
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
CID 70262177
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol (CID 117365849) is 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol is CN1CCC(c2ccccc2CC2(O)CC2)CC1.
What is the InChIKey of 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is XODCJPQFCRNPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-10-6-13(7-11-17)15-5-3-2-4-14(15)12-16(18)8-9-16/h2-5,13,18H,6-12H2,1H3.
What are the key properties of 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).