3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine

C16H24N2O — CID 64832813

IUPAC3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
SMILESCOc1ccc(C)cc1CN1CCNC(C2CC2)C1
InChIInChI=1S/C16H24N2O/c1-12-3-6-16(19-2)14(9-12)10-18-8-7-17-15(11-18)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyPACHOOPHUKHNIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds4

About 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine

3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine (PubChem CID 64832813) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
PubChem CID64832813
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
SMILESCOc1ccc(C)cc1CN1CCNC(C2CC2)C1
InChIInChI=1S/C16H24N2O/c1-12-3-6-16(19-2)14(9-12)10-18-8-7-17-15(11-18)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyPACHOOPHUKHNIP-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
CID 82895989
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
CID 64846488
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 81213290
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine?
The IUPAC name of 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine (CID 64832813) is 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine?
The canonical SMILES for 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine is COc1ccc(C)cc1CN1CCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine?
The InChIKey is PACHOOPHUKHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-6-16(19-2)14(9-12)10-18-8-7-17-15(11-18)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine?
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64832813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).