1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine

C18H28N4 — CID 126893395

IUPAC1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(C3CN(C4CCCCC4)C3)CC2)nc1
InChIInChI=1S/C18H28N4/c1-2-6-16(7-3-1)22-14-17(15-22)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyPDEMCSRLWKVIEA-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.22
Rot. Bonds3

About 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine

1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine (PubChem CID 126893395) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
PubChem CID126893395
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(C3CN(C4CCCCC4)C3)CC2)nc1
InChIInChI=1S/C18H28N4/c1-2-6-16(7-3-1)22-14-17(15-22)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyPDEMCSRLWKVIEA-UHFFFAOYSA-N
XLogP2.22
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
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
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine (CID 126893395) is 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine is c1ccc(N2CCN(C3CN(C4CCCCC4)C3)CC2)nc1.
What is the InChIKey of 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine?
The InChIKey is PDEMCSRLWKVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-6-16(7-3-1)22-14-17(15-22)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2.
What are the key properties of 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine?
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine has a molecular weight of 300.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 126893395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).