1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol

C22H35NO3 — CID 67194013

IUPAC1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCCC(O)(c1ccccc1OCCC1CC1)C1CCCNC1
InChIInChI=1S/C22H35NO3/c1-25-15-5-4-13-22(24,19-7-6-14-23-17-19)20-8-2-3-9-21(20)26-16-12-18-10-11-18/h2-3,8-9,18-19,23-24H,4-7,10-17H2,1H3
InChIKeyGMLRTLPRCMOBEG-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.87
Rot. Bonds11

About 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol

1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 67194013) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID67194013
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCCC(O)(c1ccccc1OCCC1CC1)C1CCCNC1
InChIInChI=1S/C22H35NO3/c1-25-15-5-4-13-22(24,19-7-6-14-23-17-19)20-8-2-3-9-21(20)26-16-12-18-10-11-18/h2-3,8-9,18-19,23-24H,4-7,10-17H2,1H3
InChIKeyGMLRTLPRCMOBEG-UHFFFAOYSA-N
XLogP3.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190101
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
(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-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148
(1S)-1-[2-(5-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol;(1S)-1-[3-fluoro-2-(4-methylphenoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 162119825
(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
CID 67189286
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol;(1S)-5-methoxy-1-[5-methyl-2-(4-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 162263119

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (CID 67194013) is 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is COCCCCC(O)(c1ccccc1OCCC1CC1)C1CCCNC1.
What is the InChIKey of 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is GMLRTLPRCMOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-25-15-5-4-13-22(24,19-7-6-14-23-17-19)20-8-2-3-9-21(20)26-16-12-18-10-11-18/h2-3,8-9,18-19,23-24H,4-7,10-17H2,1H3.
What are the key properties of 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 361.53 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 67194013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).