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

C14H20ClN3 — CID 63089006

IUPAC[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c15-13-9-11(10-16)1-4-14(13)18-7-5-17(6-8-18)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2
InChIKeyFRJOUFXREQPQSV-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.08
Rot. Bonds3

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

[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine (PubChem CID 63089006) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
PubChem CID63089006
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c15-13-9-11(10-16)1-4-14(13)18-7-5-17(6-8-18)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2
InChIKeyFRJOUFXREQPQSV-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(chloromethyl)phenyl]-4-cyclopentylpiperazine
CID 81152611
N-[[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 81149173
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
CID 138531687
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
CID 63087172
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
[3-chloro-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanamine
CID 79941249
[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
CID 59588802

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine (CID 63089006) is [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine is NCc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is FRJOUFXREQPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-13-9-11(10-16)1-4-14(13)18-7-5-17(6-8-18)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2.
What are the key properties of [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine?
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 265.79 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63089006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).