2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine

C17H27N3 — CID 62616072

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3/c18-17-8-4-7-16(17)14-20-11-9-19(10-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,18H2
InChIKeyXAYKXLARFZMMLV-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds4

About 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine

2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 62616072) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
PubChem CID62616072
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3/c18-17-8-4-7-16(17)14-20-11-9-19(10-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,18H2
InChIKeyXAYKXLARFZMMLV-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(pyrrolidin-1-ylmethyl)cyclopentan-1-amine
CID 23009063
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425102
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
1-benzyl-4-cyclopropylpiperazine
CID 69195043
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine (CID 62616072) is 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine is NC1CCCC1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is XAYKXLARFZMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-17-8-4-7-16(17)14-20-11-9-19(10-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,18H2.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine?
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62616072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).