3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine

C18H28N2 — CID 107415536

IUPAC3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
SMILESCC1CCC(CN2CCNC(C)(c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2/c1-15-8-9-16(12-15)13-20-11-10-19-18(2,14-20)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3
InChIKeyAZIDOHVZUWEYSA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine

3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine (PubChem CID 107415536) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
PubChem CID107415536
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
SMILESCC1CCC(CN2CCNC(C)(c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2/c1-15-8-9-16(12-15)13-20-11-10-19-18(2,14-20)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3
InChIKeyAZIDOHVZUWEYSA-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine (CID 107415536) is 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine is CC1CCC(CN2CCNC(C)(c3ccccc3)C2)C1.
What is the InChIKey of 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine?
The InChIKey is AZIDOHVZUWEYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-8-9-16(12-15)13-20-11-10-19-18(2,14-20)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine?
3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 107415536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).