1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol

C22H29NO3 — CID 44514801

IUPAC1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
SMILESCOC(Cc1ccccc1C1(O)CCCN(Cc2ccccc2)C1)OC
InChIInChI=1S/C22H29NO3/c1-25-21(26-2)15-19-11-6-7-12-20(19)22(24)13-8-14-23(17-22)16-18-9-4-3-5-10-18/h3-7,9-12,21,24H,8,13-17H2,1-2H3
InChIKeyRGYRZZUUDCEXBT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.33
Rot. Bonds7

About 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol

1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol (PubChem CID 44514801) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
PubChem CID44514801
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
SMILESCOC(Cc1ccccc1C1(O)CCCN(Cc2ccccc2)C1)OC
InChIInChI=1S/C22H29NO3/c1-25-21(26-2)15-19-11-6-7-12-20(19)22(24)13-8-14-23(17-22)16-18-9-4-3-5-10-18/h3-7,9-12,21,24H,8,13-17H2,1-2H3
InChIKeyRGYRZZUUDCEXBT-UHFFFAOYSA-N
XLogP3.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol (CID 44514801) is 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol is COC(Cc1ccccc1C1(O)CCCN(Cc2ccccc2)C1)OC.
What is the InChIKey of 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol?
The InChIKey is RGYRZZUUDCEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-25-21(26-2)15-19-11-6-7-12-20(19)22(24)13-8-14-23(17-22)16-18-9-4-3-5-10-18/h3-7,9-12,21,24H,8,13-17H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol?
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol has a molecular weight of 355.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 44514801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).