2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol

C27H37NO2 — CID 70309328

IUPAC2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol
SMILESCc1ccc(OCC2CCCN(CC(O)C3(c4ccc(C)cc4)CCC3)C2C)cc1
InChIInChI=1S/C27H37NO2/c1-20-7-11-24(12-8-20)27(15-5-16-27)26(29)18-28-17-4-6-23(22(28)3)19-30-25-13-9-21(2)10-14-25/h7-14,22-23,26,29H,4-6,15-19H2,1-3H3
InChIKeySNRBVRXTBQAECA-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.27
Rot. Bonds7

About 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol

2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol (PubChem CID 70309328) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol
PubChem CID70309328
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol
SMILESCc1ccc(OCC2CCCN(CC(O)C3(c4ccc(C)cc4)CCC3)C2C)cc1
InChIInChI=1S/C27H37NO2/c1-20-7-11-24(12-8-20)27(15-5-16-27)26(29)18-28-17-4-6-23(22(28)3)19-30-25-13-9-21(2)10-14-25/h7-14,22-23,26,29H,4-6,15-19H2,1-3H3
InChIKeySNRBVRXTBQAECA-UHFFFAOYSA-N
XLogP5.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol with MolForge

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Related Compounds

2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine
CID 70310740
(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
CID 169188321
(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-[(2S,3S)-3-iodo-2-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanol
CID 162600083
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-[1-(4-chlorophenyl)cyclobutyl]-2-[2-methyl-5-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]piperidin-1-yl]ethanol
CID 70657628
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
CID 152601566
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]-2-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanol
CID 89021148

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol?
The IUPAC name of 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol (CID 70309328) is 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol.
What is the SMILES notation for 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol?
The canonical SMILES for 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol is Cc1ccc(OCC2CCCN(CC(O)C3(c4ccc(C)cc4)CCC3)C2C)cc1.
What is the InChIKey of 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol?
The InChIKey is SNRBVRXTBQAECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-20-7-11-24(12-8-20)27(15-5-16-27)26(29)18-28-17-4-6-23(22(28)3)19-30-25-13-9-21(2)10-14-25/h7-14,22-23,26,29H,4-6,15-19H2,1-3H3.
What are the key properties of 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol?
2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol has a molecular weight of 407.60 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-[1-(4-methylphenyl)cyclobutyl]ethanol is sourced from PubChem (CID 70309328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).