benzene;piperidin-1-yl acetate

C13H19NO2 — CID 66953580

IUPACbenzene;piperidin-1-yl acetate
SMILESCC(=O)ON1CCCCC1.c1ccccc1
InChIInChI=1S/C7H13NO2.C6H6/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H
InChIKeyMITVSHWNTWUCSR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.64
Rot. Bonds1

About benzene;piperidin-1-yl acetate

benzene;piperidin-1-yl acetate (PubChem CID 66953580) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzene;piperidin-1-yl acetate.

Molecular Properties

Compound Namebenzene;piperidin-1-yl acetate
PubChem CID66953580
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzene;piperidin-1-yl acetate
SMILESCC(=O)ON1CCCCC1.c1ccccc1
InChIInChI=1S/C7H13NO2.C6H6/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H
InChIKeyMITVSHWNTWUCSR-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl acetate
CID 67537261
piperazin-1-yl acetate
CID 54492305
1,3-oxazinan-3-yl acetate
CID 10486979
2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid
CID 70259588
piperidin-1-yl 2-methylbenzoate
CID 174733401
[4,7-diacetyloxy-10-[(2,6-dichlorophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl] acetate
CID 157330337
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
piperidin-1-yl (E)-3-phenylprop-2-enoate
CID 135365277
piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate
CID 174820553
piperidin-1-yl 2,2-dichloroacetate
CID 57250123
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate
CID 54005824

Frequently Asked Questions

What is the IUPAC name of benzene;piperidin-1-yl acetate?
The IUPAC name of benzene;piperidin-1-yl acetate (CID 66953580) is benzene;piperidin-1-yl acetate.
What is the SMILES notation for benzene;piperidin-1-yl acetate?
The canonical SMILES for benzene;piperidin-1-yl acetate is CC(=O)ON1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;piperidin-1-yl acetate?
The InChIKey is MITVSHWNTWUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H6/c1-7(9)10-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H.
What are the key properties of benzene;piperidin-1-yl acetate?
benzene;piperidin-1-yl acetate has a molecular weight of 221.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;piperidin-1-yl acetate is sourced from PubChem (CID 66953580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).