1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine

C17H26ClNO3 — CID 77096973

IUPAC1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCCN1Cc1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C17H26ClNO3/c1-20-11-9-14-6-4-5-10-19(14)12-13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyNXQGITUHKATZOF-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.75
Rot. Bonds7

About 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine (PubChem CID 77096973) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
PubChem CID77096973
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCCN1Cc1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C17H26ClNO3/c1-20-11-9-14-6-4-5-10-19(14)12-13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyNXQGITUHKATZOF-UHFFFAOYSA-N
XLogP3.75
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine
CID 97159773
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
CID 89293921
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
CID 77082765
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 86771121

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine?
The IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine (CID 77096973) is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine.
What is the SMILES notation for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine?
The canonical SMILES for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine is COCCC1CCCCN1Cc1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine?
The InChIKey is NXQGITUHKATZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-20-11-9-14-6-4-5-10-19(14)12-13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14H,4-6,9-12H2,1-3H3.
What are the key properties of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine?
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine has a molecular weight of 327.85 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine is sourced from PubChem (CID 77096973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).