(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride

C15H22ClNO2 — CID 126478160

IUPAC(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride
SMILESCC(=O)OC1(c2ccccc2)CC(C)CN(C)C1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12-9-15(18-13(2)17,11-16(3)10-12)14-7-5-4-6-8-14;/h4-8,12H,9-11H2,1-3H3;1H
InChIKeyLYOOJOOIDHRNCO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.84
Rot. Bonds2

About (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride

(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride (PubChem CID 126478160) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride
PubChem CID126478160
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride
SMILESCC(=O)OC1(c2ccccc2)CC(C)CN(C)C1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12-9-15(18-13(2)17,11-16(3)10-12)14-7-5-4-6-8-14;/h4-8,12H,9-11H2,1-3H3;1H
InChIKeyLYOOJOOIDHRNCO-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride?
The IUPAC name of (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride (CID 126478160) is (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride.
What is the SMILES notation for (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride?
The canonical SMILES for (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride is CC(=O)OC1(c2ccccc2)CC(C)CN(C)C1.Cl.
What is the InChIKey of (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride?
The InChIKey is LYOOJOOIDHRNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-12-9-15(18-13(2)17,11-16(3)10-12)14-7-5-4-6-8-14;/h4-8,12H,9-11H2,1-3H3;1H.
What are the key properties of (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride?
(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride is sourced from PubChem (CID 126478160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).