propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate

C17H25NO2 — CID 83983157

IUPACpropan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-14(2)20-17(19)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyNXVWXFSLEOCNCW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds5

About propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate

propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate (PubChem CID 83983157) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
PubChem CID83983157
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namepropan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-14(2)20-17(19)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyNXVWXFSLEOCNCW-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
2-[(1-benzylpiperidin-4-yl)methyl]propanedioate;hydrochloride
CID 18386676
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoic acid
CID 83983457
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate (CID 83983157) is propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate is CC(C)OC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate?
The InChIKey is NXVWXFSLEOCNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)20-17(19)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate?
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate has a molecular weight of 275.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate is sourced from PubChem (CID 83983157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).