1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine

C24H32ClN3O2 — CID 23723620

IUPAC1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC
InChIInChI=1S/C24H32ClN3O2/c1-29-23-9-8-19(15-24(23)30-2)17-26-10-4-7-22(18-26)28-13-11-27(12-14-28)21-6-3-5-20(25)16-21/h3,5-6,8-9,15-16,22H,4,7,10-14,17-18H2,1-2H3
InChIKeyNUMATXIUOIFOMT-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.14
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine

1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine (PubChem CID 23723620) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine
PubChem CID23723620
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC
InChIInChI=1S/C24H32ClN3O2/c1-29-23-9-8-19(15-24(23)30-2)17-26-10-4-7-22(18-26)28-13-11-27(12-14-28)21-6-3-5-20(25)16-21/h3,5-6,8-9,15-16,22H,4,7,10-14,17-18H2,1-2H3
InChIKeyNUMATXIUOIFOMT-UHFFFAOYSA-N
XLogP4.14
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine (CID 23723620) is 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine is COc1ccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine?
The InChIKey is NUMATXIUOIFOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-29-23-9-8-19(15-24(23)30-2)17-26-10-4-7-22(18-26)28-13-11-27(12-14-28)21-6-3-5-20(25)16-21/h3,5-6,8-9,15-16,22H,4,7,10-14,17-18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine?
1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine has a molecular weight of 429.99 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 23723620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).