(2-piperazin-1-ylphenyl)methanamine;hydrochloride

C11H18ClN3 — CID 174363608

IUPAC(2-piperazin-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccccc1N1CCNCC1
InChIInChI=1S/C11H17N3.ClH/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14;/h1-4,13H,5-9,12H2;1H
InChIKeySCCPJDRBPHZKMX-UHFFFAOYSA-N
MW227.74 g/mol
LogP0.98
Rot. Bonds2

About (2-piperazin-1-ylphenyl)methanamine;hydrochloride

(2-piperazin-1-ylphenyl)methanamine;hydrochloride (PubChem CID 174363608) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is (2-piperazin-1-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-piperazin-1-ylphenyl)methanamine;hydrochloride
PubChem CID174363608
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name(2-piperazin-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccccc1N1CCNCC1
InChIInChI=1S/C11H17N3.ClH/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14;/h1-4,13H,5-9,12H2;1H
InChIKeySCCPJDRBPHZKMX-UHFFFAOYSA-N
XLogP0.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
(4-chloro-2-piperazin-1-ylphenyl)methanamine
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1-(2-butylphenyl)piperazine
CID 14479835
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43164176
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone
CID 35752459
(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine
CID 66517777
1-(2-chlorophenyl)piperazine
CID 162116490
3-(aminomethyl)-4-(2-piperazin-1-ylphenyl)benzoic acid
CID 142468633
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
CID 115018241

Frequently Asked Questions

What is the IUPAC name of (2-piperazin-1-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-piperazin-1-ylphenyl)methanamine;hydrochloride (CID 174363608) is (2-piperazin-1-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-piperazin-1-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-piperazin-1-ylphenyl)methanamine;hydrochloride is Cl.NCc1ccccc1N1CCNCC1.
What is the InChIKey of (2-piperazin-1-ylphenyl)methanamine;hydrochloride?
The InChIKey is SCCPJDRBPHZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14;/h1-4,13H,5-9,12H2;1H.
What are the key properties of (2-piperazin-1-ylphenyl)methanamine;hydrochloride?
(2-piperazin-1-ylphenyl)methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperazin-1-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 174363608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).