1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine

C14H20ClNO2 — CID 19957775

IUPAC1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-11-4-5-13(12(15)10-11)16-8-6-14(17-2,18-3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyWACJYEOLFOIQEK-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine

1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine (PubChem CID 19957775) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
PubChem CID19957775
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-11-4-5-13(12(15)10-11)16-8-6-14(17-2,18-3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyWACJYEOLFOIQEK-UHFFFAOYSA-N
XLogP3.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 170250864
3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 170254534
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
CID 117007800
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
1-(2-methoxy-4-methylphenyl)-N,4-dimethylpiperidin-4-amine
CID 166899283
1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
CID 142618603
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
CID 70992327
2-(2-chloro-4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370216
1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
CID 167308640
4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69493240
1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine
CID 143238058
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine (CID 19957775) is 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine is COC1(OC)CCN(c2ccc(C)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine?
The InChIKey is WACJYEOLFOIQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-4-5-13(12(15)10-11)16-8-6-14(17-2,18-3)7-9-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine?
1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine has a molecular weight of 269.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine is sourced from PubChem (CID 19957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).