(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol

C14H20ClNO2 — CID 63370825

IUPAC(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
SMILESCOC1CCN(c2ccc([C@@H](C)O)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9-10,12,17H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyMYMFBVMKNBSRCZ-SNVBAGLBSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds3

About (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol

(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol (PubChem CID 63370825) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
PubChem CID63370825
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
SMILESCOC1CCN(c2ccc([C@@H](C)O)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9-10,12,17H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyMYMFBVMKNBSRCZ-SNVBAGLBSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
(1S)-1-[3-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]ethanol
CID 103535462
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
CID 102736611
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
(1R)-1-[4-(4-tert-butylazepan-1-yl)-3-chlorophenyl]ethanol
CID 78992789
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 62908706
1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]ethanol
CID 65282858
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol (CID 63370825) is (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol is COC1CCN(c2ccc([C@@H](C)O)cc2Cl)CC1.
What is the InChIKey of (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol?
The InChIKey is MYMFBVMKNBSRCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9-10,12,17H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol?
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).