[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine

C17H26ClN3 — CID 102662919

IUPAC[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(CN2CCN(C3CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c18-17-11-14(12-19)5-6-15(17)13-20-7-9-21(10-8-20)16-3-1-2-4-16/h5-6,11,16H,1-4,7-10,12-13,19H2
InChIKeyPZPSXTFQDWANLM-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.86
Rot. Bonds4

About [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine

[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 102662919) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID102662919
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(CN2CCN(C3CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c18-17-11-14(12-19)5-6-15(17)13-20-7-9-21(10-8-20)16-3-1-2-4-16/h5-6,11,16H,1-4,7-10,12-13,19H2
InChIKeyPZPSXTFQDWANLM-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine (CID 102662919) is [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine is NCc1ccc(CN2CCN(C3CCCC3)CC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is PZPSXTFQDWANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-17-11-14(12-19)5-6-15(17)13-20-7-9-21(10-8-20)16-3-1-2-4-16/h5-6,11,16H,1-4,7-10,12-13,19H2.
What are the key properties of [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 307.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102662919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).