2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine

C17H26ClN3 — CID 114860829

IUPAC2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26ClN3/c18-15-5-6-17(14(13-15)7-8-19)21-11-9-20(10-12-21)16-3-1-2-4-16/h5-6,13,16H,1-4,7-12,19H2
InChIKeyDWNBEBXHWCJRKE-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.91
Rot. Bonds4

About 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine

2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 114860829) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
PubChem CID114860829
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26ClN3/c18-15-5-6-17(14(13-15)7-8-19)21-11-9-20(10-12-21)16-3-1-2-4-16/h5-6,13,16H,1-4,7-12,19H2
InChIKeyDWNBEBXHWCJRKE-UHFFFAOYSA-N
XLogP2.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
1-[2-chloro-4-(chloromethyl)phenyl]-4-cyclopentylpiperazine
CID 81152611
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
[2-(4-cyclopentylpiperazin-1-yl)phenyl]methanol
CID 62369445
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine (CID 114860829) is 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine is NCCc1cc(Cl)ccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is DWNBEBXHWCJRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-15-5-6-17(14(13-15)7-8-19)21-11-9-20(10-12-21)16-3-1-2-4-16/h5-6,13,16H,1-4,7-12,19H2.
What are the key properties of 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine?
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 307.87 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114860829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).