propan-2-yl 1-benzylpiperidine-4-carboxylate

C16H23NO2 — CID 83983156

IUPACpropan-2-yl 1-benzylpiperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-13(2)19-16(18)15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyPRVDQZJYPTVDGE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds4

About propan-2-yl 1-benzylpiperidine-4-carboxylate

propan-2-yl 1-benzylpiperidine-4-carboxylate (PubChem CID 83983156) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propan-2-yl 1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-benzylpiperidine-4-carboxylate
PubChem CID83983156
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropan-2-yl 1-benzylpiperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-13(2)19-16(18)15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyPRVDQZJYPTVDGE-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
fluoro 1-benzylpyrrolidine-3-carboxylate
CID 143050363
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-benzylpiperidine-4-carboxylate?
The IUPAC name of propan-2-yl 1-benzylpiperidine-4-carboxylate (CID 83983156) is propan-2-yl 1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-benzylpiperidine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-benzylpiperidine-4-carboxylate is CC(C)OC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of propan-2-yl 1-benzylpiperidine-4-carboxylate?
The InChIKey is PRVDQZJYPTVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)19-16(18)15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of propan-2-yl 1-benzylpiperidine-4-carboxylate?
propan-2-yl 1-benzylpiperidine-4-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 83983156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).