1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine

C17H26N2 — CID 82132559

IUPAC1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
SMILESCc1cccc(C2(CN3CCNCC3)CCCC2)c1
InChIInChI=1S/C17H26N2/c1-15-5-4-6-16(13-15)17(7-2-3-8-17)14-19-11-9-18-10-12-19/h4-6,13,18H,2-3,7-12,14H2,1H3
InChIKeyBBJGDVZOAWENJV-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.71
Rot. Bonds3

About 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine

1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine (PubChem CID 82132559) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
PubChem CID82132559
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
SMILESCc1cccc(C2(CN3CCNCC3)CCCC2)c1
InChIInChI=1S/C17H26N2/c1-15-5-4-6-16(13-15)17(7-2-3-8-17)14-19-11-9-18-10-12-19/h4-6,13,18H,2-3,7-12,14H2,1H3
InChIKeyBBJGDVZOAWENJV-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine
CID 116829817
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251
1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
CID 82132905
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
1-methyl-4-[(4-phenylpiperidin-4-yl)methyl]-1,4-diazepane
CID 63155146
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
1-[1-(isocyanomethyl)cyclopropyl]-3-methylbenzene
CID 84654155
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine?
The IUPAC name of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine (CID 82132559) is 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine is Cc1cccc(C2(CN3CCNCC3)CCCC2)c1.
What is the InChIKey of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine?
The InChIKey is BBJGDVZOAWENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15-5-4-6-16(13-15)17(7-2-3-8-17)14-19-11-9-18-10-12-19/h4-6,13,18H,2-3,7-12,14H2,1H3.
What are the key properties of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine?
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine is sourced from PubChem (CID 82132559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).