[(3S)-piperidin-3-yl]methyl acetate

C8H15NO2 — CID 11194466

IUPAC[(3S)-piperidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCCNC1
InChIInChI=1S/C8H15NO2/c1-7(10)11-6-8-3-2-4-9-5-8/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyRCTKHWZYRRECBJ-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

About [(3S)-piperidin-3-yl]methyl acetate

[(3S)-piperidin-3-yl]methyl acetate (PubChem CID 11194466) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3S)-piperidin-3-yl]methyl acetate.

Molecular Properties

Compound Name[(3S)-piperidin-3-yl]methyl acetate
PubChem CID11194466
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3S)-piperidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCCNC1
InChIInChI=1S/C8H15NO2/c1-7(10)11-6-8-3-2-4-9-5-8/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyRCTKHWZYRRECBJ-QMMMGPOBSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
azetidin-3-ylmethyl acetate
CID 66592470
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
piperidin-3-ylmethyl benzoate
CID 53409803
cyclopropylmethyl acetate
CID 538333
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
2-methyl-4-(piperidin-3-ylmethoxy)but-2-enoic acid
CID 83213207
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
ethyl 2-(piperidin-3-ylmethoxy)pentanoate
CID 83212553
methyl 2-bromo-3-(piperidin-3-ylmethoxy)propanoate
CID 83212383

Frequently Asked Questions

What is the IUPAC name of [(3S)-piperidin-3-yl]methyl acetate?
The IUPAC name of [(3S)-piperidin-3-yl]methyl acetate (CID 11194466) is [(3S)-piperidin-3-yl]methyl acetate.
What is the SMILES notation for [(3S)-piperidin-3-yl]methyl acetate?
The canonical SMILES for [(3S)-piperidin-3-yl]methyl acetate is CC(=O)OC[C@H]1CCCNC1.
What is the InChIKey of [(3S)-piperidin-3-yl]methyl acetate?
The InChIKey is RCTKHWZYRRECBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)11-6-8-3-2-4-9-5-8/h8-9H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-piperidin-3-yl]methyl acetate?
[(3S)-piperidin-3-yl]methyl acetate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-piperidin-3-yl]methyl acetate is sourced from PubChem (CID 11194466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).