1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine

C15H22N2O — CID 117111632

IUPAC1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
SMILESCOC1(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C15H22N2O/c1-18-15(6-7-15)14-5-3-2-4-13(14)12-17-10-8-16-9-11-17/h2-5,16H,6-12H2,1H3
InChIKeyOWWJMRAKSFTONT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine

1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine (PubChem CID 117111632) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
PubChem CID117111632
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
SMILESCOC1(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C15H22N2O/c1-18-15(6-7-15)14-5-3-2-4-13(14)12-17-10-8-16-9-11-17/h2-5,16H,6-12H2,1H3
InChIKeyOWWJMRAKSFTONT-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(piperazin-1-ylmethyl)phenyl]cyclopropyl]methanol
CID 117111651
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
2-[2-(1-methoxycyclopropyl)phenyl]acetonitrile
CID 115110930
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400051
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
CID 56701153

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine (CID 117111632) is 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine is COC1(c2ccccc2CN2CCNCC2)CC1.
What is the InChIKey of 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine?
The InChIKey is OWWJMRAKSFTONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-15(6-7-15)14-5-3-2-4-13(14)12-17-10-8-16-9-11-17/h2-5,16H,6-12H2,1H3.
What are the key properties of 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine?
1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117111632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).