piperidin-4-yl acetate;hydrochloride

C7H14ClNO2 — CID 12694334

IUPACpiperidin-4-yl acetate;hydrochloride
SMILESCC(=O)OC1CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKeyUDSMCVVEFKCVIM-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds1

About piperidin-4-yl acetate;hydrochloride

piperidin-4-yl acetate;hydrochloride (PubChem CID 12694334) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is piperidin-4-yl acetate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl acetate;hydrochloride
PubChem CID12694334
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namepiperidin-4-yl acetate;hydrochloride
SMILESCC(=O)OC1CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKeyUDSMCVVEFKCVIM-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propionyloxypiperidine
CID 12410235
4-ethoxypiperidine Hydrochloride
CID 11506518
Methyl 3-(piperidin-4-yloxy)propanoate hydrochloride
CID 18969484
(Piperidin-4-yloxy)acetic acid methyl ester hydrochloride
CID 21835549
Piperidin-3-yl acetate hydrochloride
CID 53409780
Piperidin-4-yl acetate
CID 11252075
3-Piperidinyl acetate
CID 21490229
cis-4-Formyloxypiperidine
CID 21220181
4-Piperidinyl propanoate hydrochloride
CID 53410141
Piperidin-4-yl 2-aminoacetate
CID 91483112
(Piperidin-4-yloxy)-acetic acid methyl ester
CID 15343161
Piperidin-4-yl 2,2,2-trifluoroacetate
CID 17960334

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl acetate;hydrochloride?
The IUPAC name of piperidin-4-yl acetate;hydrochloride (CID 12694334) is piperidin-4-yl acetate;hydrochloride.
What is the SMILES notation for piperidin-4-yl acetate;hydrochloride?
The canonical SMILES for piperidin-4-yl acetate;hydrochloride is CC(=O)OC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl acetate;hydrochloride?
The InChIKey is UDSMCVVEFKCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H.
What are the key properties of piperidin-4-yl acetate;hydrochloride?
piperidin-4-yl acetate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl acetate;hydrochloride is sourced from PubChem (CID 12694334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).