(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine

C17H27N3 — CID 78935482

IUPAC(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14(18)16-8-4-5-9-17(16)20-12-10-19(11-13-20)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-13,18H2,1H3/t14-/m1/s1
InChIKeyLRQJMXVGDSBTCR-CQSZACIVSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds3

About (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine

(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 78935482) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
PubChem CID78935482
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14(18)16-8-4-5-9-17(16)20-12-10-19(11-13-20)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-13,18H2,1H3/t14-/m1/s1
InChIKeyLRQJMXVGDSBTCR-CQSZACIVSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (CID 78935482) is (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is LRQJMXVGDSBTCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(18)16-8-4-5-9-17(16)20-12-10-19(11-13-20)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-13,18H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78935482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).