1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine

C20H24N4 — CID 102070099

IUPAC1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine
SMILESC1=C(c2ccccn2)CC[C@H](N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2/t18-/m1/s1
InChIKeyMCTSZRVXVCAAHY-GOSISDBHSA-N
MW320.44 g/mol
LogP3.23
Rot. Bonds3

About 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine

1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine (PubChem CID 102070099) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine
PubChem CID102070099
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine
SMILESC1=C(c2ccccn2)CC[C@H](N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2/t18-/m1/s1
InChIKeyMCTSZRVXVCAAHY-GOSISDBHSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
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-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine (CID 102070099) is 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine is C1=C(c2ccccn2)CC[C@H](N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine?
The InChIKey is MCTSZRVXVCAAHY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2/t18-/m1/s1.
What are the key properties of 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine?
1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine has a molecular weight of 320.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine is sourced from PubChem (CID 102070099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).