1-(3-chlorophenyl)-4-propan-2-ylpiperazine

C13H19ClN2 — CID 14960356

IUPAC1-(3-chlorophenyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFWDNWHLUDLUDBQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.87
Rot. Bonds2

About 1-(3-chlorophenyl)-4-propan-2-ylpiperazine

1-(3-chlorophenyl)-4-propan-2-ylpiperazine (PubChem CID 14960356) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-propan-2-ylpiperazine
PubChem CID14960356
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(3-chlorophenyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFWDNWHLUDLUDBQ-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-propan-2-ylpiperazine (CID 14960356) is 1-(3-chlorophenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-propan-2-ylpiperazine?
The InChIKey is FWDNWHLUDLUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-propan-2-ylpiperazine?
1-(3-chlorophenyl)-4-propan-2-ylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 14960356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).