2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine

C11H16ClN3 — CID 89025318

IUPAC2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
SMILESNc1ccc(NC2CCNCC2)cc1Cl
InChIInChI=1S/C11H16ClN3/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6,13H2
InChIKeyRPBMRHNTQVZOTO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine

2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine (PubChem CID 89025318) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
PubChem CID89025318
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
SMILESNc1ccc(NC2CCNCC2)cc1Cl
InChIInChI=1S/C11H16ClN3/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6,13H2
InChIKeyRPBMRHNTQVZOTO-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine (CID 89025318) is 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine is Nc1ccc(NC2CCNCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine?
The InChIKey is RPBMRHNTQVZOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6,13H2.
What are the key properties of 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine?
2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine has a molecular weight of 225.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 89025318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).