4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine

C22H27BrClNO — CID 22675311

IUPAC4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine
SMILESCCOc1cccc(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)c1
InChIInChI=1S/C22H27BrClNO/c1-2-26-21-5-3-4-17(15-21)8-11-25-12-9-18(10-13-25)14-19-16-20(24)6-7-22(19)23/h3-7,15-16,18H,2,8-14H2,1H3
InChIKeyZRMAXLWMGYFVSY-UHFFFAOYSA-N
MW436.82 g/mol
LogP6.00
Rot. Bonds7

About 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine

4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine (PubChem CID 22675311) has the molecular formula C22H27BrClNO and a molecular weight of 436.82 g/mol. Its IUPAC name is 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine
PubChem CID22675311
Molecular FormulaC22H27BrClNO
Molecular Weight436.82 g/mol
Exact Mass435.10
IUPAC Name4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine
SMILESCCOc1cccc(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)c1
InChIInChI=1S/C22H27BrClNO/c1-2-26-21-5-3-4-17(15-21)8-11-25-12-9-18(10-13-25)14-19-16-20(24)6-7-22(19)23/h3-7,15-16,18H,2,8-14H2,1H3
InChIKeyZRMAXLWMGYFVSY-UHFFFAOYSA-N
XLogP6.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.82
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]benzamide
CID 10159820
1-benzyl-4-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1,3-diazinan-2-one
CID 23029089
3-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]ethyl]benzamide
CID 10115412
4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]cyclohexan-1-ol
CID 23029491
1-[4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 23029946
4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-[2-(2-chlorophenyl)ethyl]piperidine
CID 12968882
N-[3-[2-[4-[(2-bromo-5-methylphenyl)methyl]piperidin-1-yl]ethyl]phenyl]methanesulfonamide
CID 59105364
3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
CID 10138576
5-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-3-propyl-1,3-thiazolidin-2-one
CID 23030143
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
3-[2-[4-[[2-bromo-5-(difluoromethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-5-chlorobenzamide
CID 22675326
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine?
The IUPAC name of 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine (CID 22675311) is 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine?
The canonical SMILES for 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine is CCOc1cccc(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)c1.
What is the InChIKey of 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine?
The InChIKey is ZRMAXLWMGYFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrClNO/c1-2-26-21-5-3-4-17(15-21)8-11-25-12-9-18(10-13-25)14-19-16-20(24)6-7-22(19)23/h3-7,15-16,18H,2,8-14H2,1H3.
What are the key properties of 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine?
4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine has a molecular weight of 436.82 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 22675311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).