[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride

C14H20ClNO2 — CID 71573118

IUPAC[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
SMILESCC(=O)O[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;/h2-4,7-8,13-15H,5-6,9-10H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyLDPSCUMJCVDWCB-IODNYQNNSA-N
MW269.77 g/mol
LogP2.85
Rot. Bonds3

About [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride

[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride (PubChem CID 71573118) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride.

Molecular Properties

Compound Name[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
PubChem CID71573118
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
SMILESCC(=O)O[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;/h2-4,7-8,13-15H,5-6,9-10H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyLDPSCUMJCVDWCB-IODNYQNNSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride?
The IUPAC name of [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride (CID 71573118) is [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride.
What is the SMILES notation for [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride?
The canonical SMILES for [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride is CC(=O)O[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride?
The InChIKey is LDPSCUMJCVDWCB-IODNYQNNSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;/h2-4,7-8,13-15H,5-6,9-10H2,1H3;1H/t13-,14-;/m0./s1.
What are the key properties of [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride?
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride is sourced from PubChem (CID 71573118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).