1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

C24H31ClN2O — CID 10597050

IUPAC1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H31ClN2O/c1-28-24-9-3-7-22-19(5-2-8-23(22)24)6-4-14-26-15-17-27(18-16-26)21-12-10-20(25)11-13-21/h3,7,9-13,19H,2,4-6,8,14-18H2,1H3
InChIKeyTWAJXJHCRRIGAN-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.37
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PubChem CID 10597050) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
PubChem CID10597050
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H31ClN2O/c1-28-24-9-3-7-22-19(5-2-8-23(22)24)6-4-14-26-15-17-27(18-16-26)21-12-10-20(25)11-13-21/h3,7,9-13,19H,2,4-6,8,14-18H2,1H3
InChIKeyTWAJXJHCRRIGAN-UHFFFAOYSA-N
XLogP5.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (CID 10597050) is 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is COc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is TWAJXJHCRRIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-28-24-9-3-7-22-19(5-2-8-23(22)24)6-4-14-26-15-17-27(18-16-26)21-12-10-20(25)11-13-21/h3,7,9-13,19H,2,4-6,8,14-18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 398.98 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 10597050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).