(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

C19H31NO2 — CID 67188318

IUPAC(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCCc1cccc([C@](O)(CCCCOC)[C@@H]2CCCNC2)c1
InChIInChI=1S/C19H31NO2/c1-3-16-8-6-9-17(14-16)19(21,11-4-5-13-22-2)18-10-7-12-20-15-18/h6,8-9,14,18,20-21H,3-5,7,10-13,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyJTWUCVYZSZKIFY-RTBURBONSA-N
MW305.46 g/mol
LogP3.25
Rot. Bonds8

About (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (PubChem CID 67188318) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
PubChem CID67188318
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCCc1cccc([C@](O)(CCCCOC)[C@@H]2CCCNC2)c1
InChIInChI=1S/C19H31NO2/c1-3-16-8-6-9-17(14-16)19(21,11-4-5-13-22-2)18-10-7-12-20-15-18/h6,8-9,14,18,20-21H,3-5,7,10-13,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyJTWUCVYZSZKIFY-RTBURBONSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 59382913
(1S)-1-(3-chlorophenyl)-2-(2-methoxyethoxy)-1-piperidin-3-ylethanol
CID 67192489
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190101
(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
CID 67189286

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The IUPAC name of (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (CID 67188318) is (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The canonical SMILES for (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is CCc1cccc([C@](O)(CCCCOC)[C@@H]2CCCNC2)c1.
What is the InChIKey of (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The InChIKey is JTWUCVYZSZKIFY-RTBURBONSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-16-8-6-9-17(14-16)19(21,11-4-5-13-22-2)18-10-7-12-20-15-18/h6,8-9,14,18,20-21H,3-5,7,10-13,15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 67188318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).