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

C15H22N2O — CID 117111651

IUPAC[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol
SMILESOCC1(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C15H22N2O/c18-12-15(5-6-15)14-4-2-1-3-13(14)11-17-9-7-16-8-10-17/h1-4,16,18H,5-12H2
InChIKeyBWTXSKBZBJZSHY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.12
Rot. Bonds4

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

[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol (PubChem CID 117111651) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol
PubChem CID117111651
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol
SMILESOCC1(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C15H22N2O/c18-12-15(5-6-15)14-4-2-1-3-13(14)11-17-9-7-16-8-10-17/h1-4,16,18H,5-12H2
InChIKeyBWTXSKBZBJZSHY-UHFFFAOYSA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
CID 117111632
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
[1-(2-piperidin-4-ylphenyl)cyclopropyl]methanol
CID 117116545
azane;1-benzylpiperazine
CID 174866973
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
CID 117118115
1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400051
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156

Frequently Asked Questions

What is the IUPAC name of [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol?
The IUPAC name of [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol (CID 117111651) is [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol?
The canonical SMILES for [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol is OCC1(c2ccccc2CN2CCNCC2)CC1.
What is the InChIKey of [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol?
The InChIKey is BWTXSKBZBJZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-12-15(5-6-15)14-4-2-1-3-13(14)11-17-9-7-16-8-10-17/h1-4,16,18H,5-12H2.
What are the key properties of [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol?
[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol is sourced from PubChem (CID 117111651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).