[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C16H23Cl2NO2 — CID 72882518

IUPAC[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO2/c1-21-8-6-16(12-20)5-2-7-19(11-16)10-13-3-4-14(17)15(18)9-13/h3-4,9,20H,2,5-8,10-12H2,1H3
InChIKeyLTOHHVVMRNEZED-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.60
Rot. Bonds6

About [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72882518) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72882518
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2NO2/c1-21-8-6-16(12-20)5-2-7-19(11-16)10-13-3-4-14(17)15(18)9-13/h3-4,9,20H,2,5-8,10-12H2,1H3
InChIKeyLTOHHVVMRNEZED-UHFFFAOYSA-N
XLogP3.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
[1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72888469
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97124457
[3-(2-methoxyethyl)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]methanol
CID 72871796
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863231
[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 97143419
[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97115465

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72882518) is [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is LTOHHVVMRNEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-21-8-6-16(12-20)5-2-7-19(11-16)10-13-3-4-14(17)15(18)9-13/h3-4,9,20H,2,5-8,10-12H2,1H3.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 332.27 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).