1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine

C17H20ClN5 — CID 126893375

IUPAC1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESClc1cnccc1N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H20ClN5/c18-15-11-19-6-4-16(15)23-12-14(13-23)21-7-9-22(10-8-21)17-3-1-2-5-20-17/h1-6,11,14H,7-10,12-13H2
InChIKeyMMMKGLUQRMDUKL-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.14
Rot. Bonds3

About 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine

1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine (PubChem CID 126893375) has the molecular formula C17H20ClN5 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
PubChem CID126893375
Molecular FormulaC17H20ClN5
Molecular Weight329.83 g/mol
Exact Mass329.14
IUPAC Name1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESClc1cnccc1N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H20ClN5/c18-15-11-19-6-4-16(15)23-12-14(13-23)21-7-9-22(10-8-21)17-3-1-2-5-20-17/h1-6,11,14H,7-10,12-13H2
InChIKeyMMMKGLUQRMDUKL-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 126893609
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133352551
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
CID 126893637

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine (CID 126893375) is 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine is Clc1cnccc1N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is MMMKGLUQRMDUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c18-15-11-19-6-4-16(15)23-12-14(13-23)21-7-9-22(10-8-21)17-3-1-2-5-20-17/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine?
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 329.83 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 126893375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).