propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate

C18H27NO2 — CID 83983182

IUPACpropan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
SMILESCc1ccc(CN2CCC(CC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)21-18(20)12-16-8-10-19(11-9-16)13-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3
InChIKeyMEMBUUQULKNKNY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

About propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate

propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate (PubChem CID 83983182) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
PubChem CID83983182
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namepropan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
SMILESCc1ccc(CN2CCC(CC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)21-18(20)12-16-8-10-19(11-9-16)13-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3
InChIKeyMEMBUUQULKNKNY-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
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
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 175649098
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate (CID 83983182) is propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate is Cc1ccc(CN2CCC(CC(=O)OC(C)C)CC2)cc1.
What is the InChIKey of propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate?
The InChIKey is MEMBUUQULKNKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)21-18(20)12-16-8-10-19(11-9-16)13-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate?
propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate has a molecular weight of 289.42 g/mol, XLogP of 3.55, 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-[(4-methylphenyl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 83983182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).