(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate

C18H27NO2 — CID 175316100

IUPAC(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC1CC(Cc2ccccc2)CCN1OC(=O)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)21-17(20)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3
InChIKeyMJNDXDQFXNDKEM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds3

About (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate

(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 175316100) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID175316100
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC1CC(Cc2ccccc2)CCN1OC(=O)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)21-17(20)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3
InChIKeyMJNDXDQFXNDKEM-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl) hydrogen carbonate
CID 90757299
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993
4-benzyl-1-methoxypiperidine
CID 146666995
(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
CID 174584805
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
[(3R)-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174824904
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108962285
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate (CID 175316100) is (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate is CC1CC(Cc2ccccc2)CCN1OC(=O)C(C)(C)C.
What is the InChIKey of (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is MJNDXDQFXNDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)21-17(20)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3.
What are the key properties of (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate?
(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 289.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 175316100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).