5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine

C15H17ClN4 — CID 43318150

IUPAC5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C15H17ClN4/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-15(17)18-11-14/h1-6,11H,7-10H2,(H2,17,18)
InChIKeyOKWRBXHUIVLWQX-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.64
Rot. Bonds2

About 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine

5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 43318150) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
PubChem CID43318150
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C15H17ClN4/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-15(17)18-11-14/h1-6,11H,7-10H2,(H2,17,18)
InChIKeyOKWRBXHUIVLWQX-UHFFFAOYSA-N
XLogP2.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 60870212
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
4-[4-(6-amino-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 60870023
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
5-(2,5-dihydropyrrol-1-yl)pyridin-2-amine
CID 65417066
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161657
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948
2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
CID 43461956
5-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]pyridin-2-amine
CID 62137504
5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 62698240
5-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 62255325

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine (CID 43318150) is 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine is Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is OKWRBXHUIVLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-15(17)18-11-14/h1-6,11H,7-10H2,(H2,17,18).
What are the key properties of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine?
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 43318150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).