2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine

C16H22ClNO — CID 117449166

IUPAC2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
SMILESCc1cc(Cl)c(OCC2CC2)c(C2CCCCN2)c1
InChIInChI=1S/C16H22ClNO/c1-11-8-13(15-4-2-3-7-18-15)16(14(17)9-11)19-10-12-5-6-12/h8-9,12,15,18H,2-7,10H2,1H3
InChIKeyJMHMESVMFMIPEI-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.25
Rot. Bonds4

About 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine

2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine (PubChem CID 117449166) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine.

Molecular Properties

Compound Name2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
PubChem CID117449166
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
SMILESCc1cc(Cl)c(OCC2CC2)c(C2CCCCN2)c1
InChIInChI=1S/C16H22ClNO/c1-11-8-13(15-4-2-3-7-18-15)16(14(17)9-11)19-10-12-5-6-12/h8-9,12,15,18H,2-7,10H2,1H3
InChIKeyJMHMESVMFMIPEI-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
CID 117476719
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
CID 117426620
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine?
The IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine (CID 117449166) is 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine.
What is the SMILES notation for 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine?
The canonical SMILES for 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine is Cc1cc(Cl)c(OCC2CC2)c(C2CCCCN2)c1.
What is the InChIKey of 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine?
The InChIKey is JMHMESVMFMIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-8-13(15-4-2-3-7-18-15)16(14(17)9-11)19-10-12-5-6-12/h8-9,12,15,18H,2-7,10H2,1H3.
What are the key properties of 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine?
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine has a molecular weight of 279.81 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine is sourced from PubChem (CID 117449166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).