[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate

C19H29NO2 — CID 6618334

IUPAC[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CC(C)N(CC(C)C)C[C@@H]1C
InChIInChI=1S/C19H29NO2/c1-14(2)12-20-13-15(3)19(11-16(20)4,22-17(5)21)18-9-7-6-8-10-18/h6-10,14-16H,11-13H2,1-5H3/t15-,16?,19?/m0/s1
InChIKeyUXLOMBMHPNHPGX-LYGPFTKASA-N
MW303.45 g/mol
LogP3.83
Rot. Bonds4

About [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate

[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate (PubChem CID 6618334) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate
PubChem CID6618334
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CC(C)N(CC(C)C)C[C@@H]1C
InChIInChI=1S/C19H29NO2/c1-14(2)12-20-13-15(3)19(11-16(20)4,22-17(5)21)18-9-7-6-8-10-18/h6-10,14-16H,11-13H2,1-5H3/t15-,16?,19?/m0/s1
InChIKeyUXLOMBMHPNHPGX-LYGPFTKASA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate?
The IUPAC name of [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate (CID 6618334) is [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate.
What is the SMILES notation for [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate?
The canonical SMILES for [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate is CC(=O)OC1(c2ccccc2)CC(C)N(CC(C)C)C[C@@H]1C.
What is the InChIKey of [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate?
The InChIKey is UXLOMBMHPNHPGX-LYGPFTKASA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)12-20-13-15(3)19(11-16(20)4,22-17(5)21)18-9-7-6-8-10-18/h6-10,14-16H,11-13H2,1-5H3/t15-,16?,19?/m0/s1.
What are the key properties of [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate?
[(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate has a molecular weight of 303.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-4-yl] acetate is sourced from PubChem (CID 6618334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).