2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol

C22H30N2O2 — CID 174798401

IUPAC2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCOc1ccc(CC2CCN(CC(O)c3ccc(C)cc3)CC2)c(N)c1
InChIInChI=1S/C22H30N2O2/c1-16-3-5-18(6-4-16)22(25)15-24-11-9-17(10-12-24)13-19-7-8-20(26-2)14-21(19)23/h3-8,14,17,22,25H,9-13,15,23H2,1-2H3
InChIKeyVDLDTMXMFNWFAD-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.57
Rot. Bonds6

About 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol

2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 174798401) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID174798401
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCOc1ccc(CC2CCN(CC(O)c3ccc(C)cc3)CC2)c(N)c1
InChIInChI=1S/C22H30N2O2/c1-16-3-5-18(6-4-16)22(25)15-24-11-9-17(10-12-24)13-19-7-8-20(26-2)14-21(19)23/h3-8,14,17,22,25H,9-13,15,23H2,1-2H3
InChIKeyVDLDTMXMFNWFAD-UHFFFAOYSA-N
XLogP3.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
CID 59353025
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
4-amino-5-[[1-[2-(4-cyanophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 174744721
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
CID 111974949
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
(1R)-1-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-6-ethylcyclohexa-2,4-dien-1-ol
CID 174798526

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol (CID 174798401) is 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol is COc1ccc(CC2CCN(CC(O)c3ccc(C)cc3)CC2)c(N)c1.
What is the InChIKey of 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is VDLDTMXMFNWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-3-5-18(6-4-16)22(25)15-24-11-9-17(10-12-24)13-19-7-8-20(26-2)14-21(19)23/h3-8,14,17,22,25H,9-13,15,23H2,1-2H3.
What are the key properties of 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol?
2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 354.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 174798401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).