acetic acid;3-piperidin-2-ylpyridine

C12H18N2O2 — CID 175134059

IUPACacetic acid;3-piperidin-2-ylpyridine
SMILESCC(=O)O.c1cncc(C2CCCCN2)c1
InChIInChI=1S/C10H14N2.C2H4O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-2(3)4/h3-4,6,8,10,12H,1-2,5,7H2;1H3,(H,3,4)
InChIKeyKFFRYXCEYHHCEY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.99
Rot. Bonds1

About acetic acid;3-piperidin-2-ylpyridine

acetic acid;3-piperidin-2-ylpyridine (PubChem CID 175134059) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is acetic acid;3-piperidin-2-ylpyridine.

Molecular Properties

Compound Nameacetic acid;3-piperidin-2-ylpyridine
PubChem CID175134059
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameacetic acid;3-piperidin-2-ylpyridine
SMILESCC(=O)O.c1cncc(C2CCCCN2)c1
InChIInChI=1S/C10H14N2.C2H4O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-2(3)4/h3-4,6,8,10,12H,1-2,5,7H2;1H3,(H,3,4)
InChIKeyKFFRYXCEYHHCEY-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
CID 174645141
(2S)-2-phenylpiperidine
CID 10997356
[3-[(2R)-piperidin-2-yl]phenyl] acetate
CID 131481230
2-pyridin-3-ylpiperidine-3-carboxylic acid
CID 83916473
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
2-pyridazin-4-ylazepane
CID 104670038
4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
CID 138376376

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-piperidin-2-ylpyridine?
The IUPAC name of acetic acid;3-piperidin-2-ylpyridine (CID 175134059) is acetic acid;3-piperidin-2-ylpyridine.
What is the SMILES notation for acetic acid;3-piperidin-2-ylpyridine?
The canonical SMILES for acetic acid;3-piperidin-2-ylpyridine is CC(=O)O.c1cncc(C2CCCCN2)c1.
What is the InChIKey of acetic acid;3-piperidin-2-ylpyridine?
The InChIKey is KFFRYXCEYHHCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H4O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-2(3)4/h3-4,6,8,10,12H,1-2,5,7H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-piperidin-2-ylpyridine?
acetic acid;3-piperidin-2-ylpyridine has a molecular weight of 222.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-piperidin-2-ylpyridine is sourced from PubChem (CID 175134059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).