1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine

C17H26ClN3 — CID 742550

IUPAC1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C17H26ClN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3
InChIKeyMVPCKEGPJAEYEO-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine

1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine (PubChem CID 742550) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine
PubChem CID742550
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C17H26ClN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3
InChIKeyMVPCKEGPJAEYEO-UHFFFAOYSA-N
XLogP2.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)piperazine
CID 97478
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
4-Chloro-N,N-dimethylaniline
CID 136530
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
1,6-Bis(4-(3-chlorophenyl)piperazin-1-yl)hexane
CID 11641429
1-(3-Chlorophenyl)-4-octylpiperazine
CID 14960355
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
N-(4-chlorophenyl)-1-ethyl-4-piperidinamine
CID 868366

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine (CID 742550) is 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine is CCN1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine?
The InChIKey is MVPCKEGPJAEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-2-19-9-7-17(8-10-19)21-13-11-20(12-14-21)16-5-3-15(18)4-6-16/h3-6,17H,2,7-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine?
1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine has a molecular weight of 307.87 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1-ethylpiperidin-4-yl)piperazine is sourced from PubChem (CID 742550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).