4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine

C14H20ClNO3 — CID 117460328

IUPAC4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
SMILESCOc1cc(C2CCNCC2)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-17-11-8-10(9-4-6-16-7-5-9)13(18-2)12(15)14(11)19-3/h8-9,16H,4-7H2,1-3H3
InChIKeyBLFRXEBCBMBMET-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.83
Rot. Bonds4

About 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine

4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine (PubChem CID 117460328) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
PubChem CID117460328
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
SMILESCOc1cc(C2CCNCC2)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-17-11-8-10(9-4-6-16-7-5-9)13(18-2)12(15)14(11)19-3/h8-9,16H,4-7H2,1-3H3
InChIKeyBLFRXEBCBMBMET-UHFFFAOYSA-N
XLogP2.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine
CID 117448930
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-(2-methoxyphenyl)piperidine
CID 544738
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine?
The IUPAC name of 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine (CID 117460328) is 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine.
What is the SMILES notation for 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine?
The canonical SMILES for 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine is COc1cc(C2CCNCC2)c(OC)c(Cl)c1OC.
What is the InChIKey of 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine?
The InChIKey is BLFRXEBCBMBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-17-11-8-10(9-4-6-16-7-5-9)13(18-2)12(15)14(11)19-3/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine?
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine has a molecular weight of 285.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine is sourced from PubChem (CID 117460328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).