(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol

C12H16ClNO2 — CID 59444236

IUPAC(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CNCC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-11(15)8-14-7-6-12(11,16)9-2-4-10(13)5-3-9/h2-5,14-16H,6-8H2,1H3/t11-,12+/m1/s1
InChIKeyBPYFPHLACAAQBK-NEPJUHHUSA-N
MW241.72 g/mol
LogP1.27
Rot. Bonds1

About (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol

(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol (PubChem CID 59444236) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
PubChem CID59444236
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CNCC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-11(15)8-14-7-6-12(11,16)9-2-4-10(13)5-3-9/h2-5,14-16H,6-8H2,1H3/t11-,12+/m1/s1
InChIKeyBPYFPHLACAAQBK-NEPJUHHUSA-N
XLogP1.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol?
The IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol (CID 59444236) is (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol is C[C@@]1(O)CNCC[C@]1(O)c1ccc(Cl)cc1.
What is the InChIKey of (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol?
The InChIKey is BPYFPHLACAAQBK-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-11(15)8-14-7-6-12(11,16)9-2-4-10(13)5-3-9/h2-5,14-16H,6-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol?
(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol has a molecular weight of 241.72 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol is sourced from PubChem (CID 59444236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).