methane;methyl 2-(1-benzylpiperidin-4-yl)acetate

C16H25NO2 — CID 78582433

IUPACmethane;methyl 2-(1-benzylpiperidin-4-yl)acetate
SMILESC.COC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2.CH4/c1-18-15(17)11-13-7-9-16(10-8-13)12-14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H4
InChIKeySWQNOIQXSKQLPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds4

About methane;methyl 2-(1-benzylpiperidin-4-yl)acetate

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate (PubChem CID 78582433) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methane;methyl 2-(1-benzylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethane;methyl 2-(1-benzylpiperidin-4-yl)acetate
PubChem CID78582433
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethane;methyl 2-(1-benzylpiperidin-4-yl)acetate
SMILESC.COC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2.CH4/c1-18-15(17)11-13-7-9-16(10-8-13)12-14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H4
InChIKeySWQNOIQXSKQLPV-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
CID 14518101
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146243608
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(1-benzylpiperidin-4-yl)acetate?
The IUPAC name of methane;methyl 2-(1-benzylpiperidin-4-yl)acetate (CID 78582433) is methane;methyl 2-(1-benzylpiperidin-4-yl)acetate.
What is the SMILES notation for methane;methyl 2-(1-benzylpiperidin-4-yl)acetate?
The canonical SMILES for methane;methyl 2-(1-benzylpiperidin-4-yl)acetate is C.COC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methane;methyl 2-(1-benzylpiperidin-4-yl)acetate?
The InChIKey is SWQNOIQXSKQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.CH4/c1-18-15(17)11-13-7-9-16(10-8-13)12-14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H4.
What are the key properties of methane;methyl 2-(1-benzylpiperidin-4-yl)acetate?
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate has a molecular weight of 263.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-(1-benzylpiperidin-4-yl)acetate is sourced from PubChem (CID 78582433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).