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

C16H24N2 — CID 64845825

IUPAC2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCNCC2(C)C2CC2)c1
InChIInChI=1S/C16H24N2/c1-13-4-3-5-14(10-13)11-18-9-8-17-12-16(18,2)15-6-7-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3
InChIKeyRXERINWBZIRJIS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.57
Rot. Bonds3

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

2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine (PubChem CID 64845825) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
PubChem CID64845825
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCNCC2(C)C2CC2)c1
InChIInChI=1S/C16H24N2/c1-13-4-3-5-14(10-13)11-18-9-8-17-12-16(18,2)15-6-7-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3
InChIKeyRXERINWBZIRJIS-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
CID 106273265
2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
CID 79206754
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
CID 64847016
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine (CID 64845825) is 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCNCC2(C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The InChIKey is RXERINWBZIRJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-4-3-5-14(10-13)11-18-9-8-17-12-16(18,2)15-6-7-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine has a molecular weight of 244.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64845825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).