1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine

C18H22ClN3 — CID 15951315

IUPAC1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C18H22ClN3/c1-14(2)21-9-11-22(12-10-21)18-8-5-16(13-20-18)15-3-6-17(19)7-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyWUYBYCGIOMCTAW-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.93
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine

1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine (PubChem CID 15951315) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
PubChem CID15951315
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C18H22ClN3/c1-14(2)21-9-11-22(12-10-21)18-8-5-16(13-20-18)15-3-6-17(19)7-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyWUYBYCGIOMCTAW-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041
N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
CID 58006589
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
CID 58006606
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106
1-[5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 58804222
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
1-[5-[5-[4-(chloromethyl)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 141323468
1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 141323464
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine (CID 15951315) is 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The InChIKey is WUYBYCGIOMCTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-14(2)21-9-11-22(12-10-21)18-8-5-16(13-20-18)15-3-6-17(19)7-4-15/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine?
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine has a molecular weight of 315.85 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 15951315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).