methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate

C18H25NO2 — CID 70277896

IUPACmethyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCC1CN1CCCCC1
InChIInChI=1S/C18H25NO2/c1-21-17(20)18(15-8-4-2-5-9-15)11-10-16(18)14-19-12-6-3-7-13-19/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyCUGVMWCGOPRLBM-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.99
Rot. Bonds4

About methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate

methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate (PubChem CID 70277896) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
PubChem CID70277896
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namemethyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCC1CN1CCCCC1
InChIInChI=1S/C18H25NO2/c1-21-17(20)18(15-8-4-2-5-9-15)11-10-16(18)14-19-12-6-3-7-13-19/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyCUGVMWCGOPRLBM-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-1-phenyl-3-(piperidin-1-ylmethyl)cyclohexane-1-carboxylate
CID 154198152
methyl (1S)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
CID 146160203
cis-methyl (1R,2S)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
CID 46901462
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
cis-methyl (1R,2S)-2-[(dicyclohexylamino)methyl]-1-phenylcyclopropane-1-carboxylate
CID 101061974
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
cis-methyl (1R,2S)-2-[[(1S,5R)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropane-1-carboxylate
CID 53248109
2-[[4-(methylcarbamoylamino)-4-phenylpiperidin-1-yl]methyl]-1-phenylcyclopropane-1-carboxylic acid
CID 68768689
cis-methyl (1S,2R)-2-[[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]methyl]-1-(3,4-difluorophenyl)cyclopropane-1-carboxylate;(1S)-1-phenylethanamine
CID 172731194
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate (CID 70277896) is methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate is COC(=O)C1(c2ccccc2)CCC1CN1CCCCC1.
What is the InChIKey of methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate?
The InChIKey is CUGVMWCGOPRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17(20)18(15-8-4-2-5-9-15)11-10-16(18)14-19-12-6-3-7-13-19/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3.
What are the key properties of methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate?
methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 70277896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).