propan-2-yl 2-piperidin-3-ylacetate;hydrochloride

C10H20ClNO2 — CID 75480787

IUPACpropan-2-yl 2-piperidin-3-ylacetate;hydrochloride
SMILESCC(C)OC(=O)CC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(2)13-10(12)6-9-4-3-5-11-7-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyMDTVHCOLZHHHSS-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds3

About propan-2-yl 2-piperidin-3-ylacetate;hydrochloride

propan-2-yl 2-piperidin-3-ylacetate;hydrochloride (PubChem CID 75480787) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is propan-2-yl 2-piperidin-3-ylacetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-piperidin-3-ylacetate;hydrochloride
PubChem CID75480787
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namepropan-2-yl 2-piperidin-3-ylacetate;hydrochloride
SMILESCC(C)OC(=O)CC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(2)13-10(12)6-9-4-3-5-11-7-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyMDTVHCOLZHHHSS-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-piperidin-3-ylacetate;hydrochloride?
The IUPAC name of propan-2-yl 2-piperidin-3-ylacetate;hydrochloride (CID 75480787) is propan-2-yl 2-piperidin-3-ylacetate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-piperidin-3-ylacetate;hydrochloride?
The canonical SMILES for propan-2-yl 2-piperidin-3-ylacetate;hydrochloride is CC(C)OC(=O)CC1CCCNC1.Cl.
What is the InChIKey of propan-2-yl 2-piperidin-3-ylacetate;hydrochloride?
The InChIKey is MDTVHCOLZHHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8(2)13-10(12)6-9-4-3-5-11-7-9;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of propan-2-yl 2-piperidin-3-ylacetate;hydrochloride?
propan-2-yl 2-piperidin-3-ylacetate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-piperidin-3-ylacetate;hydrochloride is sourced from PubChem (CID 75480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).