1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine

C17H19Cl2N3 — CID 110452631

IUPAC1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2N3/c1-13(14-3-2-4-20-12-14)21-5-7-22(8-6-21)17-10-15(18)9-16(19)11-17/h2-4,9-13H,5-8H2,1H3
InChIKeySSBDAYYFEMVVAZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.27
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine

1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine (PubChem CID 110452631) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
PubChem CID110452631
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2N3/c1-13(14-3-2-4-20-12-14)21-5-7-22(8-6-21)17-10-15(18)9-16(19)11-17/h2-4,9-13H,5-8H2,1H3
InChIKeySSBDAYYFEMVVAZ-UHFFFAOYSA-N
XLogP4.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 110452626
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
4-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 133339613
5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
CID 129479354
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
6-chloro-2-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 133304447
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133310020
2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
CID 136568984

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine (CID 110452631) is 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine is CC(c1cccnc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine?
The InChIKey is SSBDAYYFEMVVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-13(14-3-2-4-20-12-14)21-5-7-22(8-6-21)17-10-15(18)9-16(19)11-17/h2-4,9-13H,5-8H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine?
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine has a molecular weight of 336.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 110452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).