N-chloro-N-phenylpiperazin-1-amine

C10H14ClN3 — CID 87149844

IUPACN-chloro-N-phenylpiperazin-1-amine
SMILESClN(c1ccccc1)N1CCNCC1
InChIInChI=1S/C10H14ClN3/c11-14(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKeyUTIYIQPKIWWWCY-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.47
Rot. Bonds2

About N-chloro-N-phenylpiperazin-1-amine

N-chloro-N-phenylpiperazin-1-amine (PubChem CID 87149844) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is N-chloro-N-phenylpiperazin-1-amine.

Molecular Properties

Compound NameN-chloro-N-phenylpiperazin-1-amine
PubChem CID87149844
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC NameN-chloro-N-phenylpiperazin-1-amine
SMILESClN(c1ccccc1)N1CCNCC1
InChIInChI=1S/C10H14ClN3/c11-14(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKeyUTIYIQPKIWWWCY-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-phenylpiperazin-1-amine?
The IUPAC name of N-chloro-N-phenylpiperazin-1-amine (CID 87149844) is N-chloro-N-phenylpiperazin-1-amine.
What is the SMILES notation for N-chloro-N-phenylpiperazin-1-amine?
The canonical SMILES for N-chloro-N-phenylpiperazin-1-amine is ClN(c1ccccc1)N1CCNCC1.
What is the InChIKey of N-chloro-N-phenylpiperazin-1-amine?
The InChIKey is UTIYIQPKIWWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-14(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2.
What are the key properties of N-chloro-N-phenylpiperazin-1-amine?
N-chloro-N-phenylpiperazin-1-amine has a molecular weight of 211.70 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-phenylpiperazin-1-amine is sourced from PubChem (CID 87149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).