(4-chloro-2-piperazin-1-ylphenyl)methanamine

C11H16ClN3 — CID 63082137

IUPAC(4-chloro-2-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C11H16ClN3/c12-10-2-1-9(8-13)11(7-10)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2
InChIKeyBWGVUQCMONCLRJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.21
Rot. Bonds2

About (4-chloro-2-piperazin-1-ylphenyl)methanamine

(4-chloro-2-piperazin-1-ylphenyl)methanamine (PubChem CID 63082137) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is (4-chloro-2-piperazin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-piperazin-1-ylphenyl)methanamine
PubChem CID63082137
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name(4-chloro-2-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C11H16ClN3/c12-10-2-1-9(8-13)11(7-10)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2
InChIKeyBWGVUQCMONCLRJ-UHFFFAOYSA-N
XLogP1.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
(2-chloro-4-piperazin-1-ylphenyl)methanamine
CID 62945857
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(5-chloro-2-ethylsulfanylphenyl)piperazine
CID 82017709
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
2-[4-[2-(aminomethyl)-5-chlorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107214036
1-[2-(aminomethyl)-5-chlorophenyl]-4-methylazepan-4-ol
CID 107403783
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-piperazin-1-ylphenyl)methanamine?
The IUPAC name of (4-chloro-2-piperazin-1-ylphenyl)methanamine (CID 63082137) is (4-chloro-2-piperazin-1-ylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-piperazin-1-ylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-piperazin-1-ylphenyl)methanamine is NCc1ccc(Cl)cc1N1CCNCC1.
What is the InChIKey of (4-chloro-2-piperazin-1-ylphenyl)methanamine?
The InChIKey is BWGVUQCMONCLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-10-2-1-9(8-13)11(7-10)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2.
What are the key properties of (4-chloro-2-piperazin-1-ylphenyl)methanamine?
(4-chloro-2-piperazin-1-ylphenyl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-piperazin-1-ylphenyl)methanamine is sourced from PubChem (CID 63082137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).