1-(2-chloro-5-methylphenyl)-4-methoxypiperidine

C13H18ClNO — CID 142618603

IUPAC1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2cc(C)ccc2Cl)CC1
InChIInChI=1S/C13H18ClNO/c1-10-3-4-12(14)13(9-10)15-7-5-11(16-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyOHSKWZGUSPNGFD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine

1-(2-chloro-5-methylphenyl)-4-methoxypiperidine (PubChem CID 142618603) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
PubChem CID142618603
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2cc(C)ccc2Cl)CC1
InChIInChI=1S/C13H18ClNO/c1-10-3-4-12(14)13(9-10)15-7-5-11(16-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyOHSKWZGUSPNGFD-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
CID 175290845
5-chloro-4-fluoro-2-(4-methoxypiperidin-1-yl)aniline
CID 66079538
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine
CID 122655353
3-bromo-1-(2-chloro-5-methylphenyl)pyrrolidin-2-one
CID 107639729
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
4-(4-methoxypiperidin-1-yl)-3-methylbenzonitrile
CID 54934420

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine (CID 142618603) is 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine is COC1CCN(c2cc(C)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine?
The InChIKey is OHSKWZGUSPNGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-3-4-12(14)13(9-10)15-7-5-11(16-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine?
1-(2-chloro-5-methylphenyl)-4-methoxypiperidine has a molecular weight of 239.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-4-methoxypiperidine is sourced from PubChem (CID 142618603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).