[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol

C13H18ClNO — CID 10657648

IUPAC[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1
InChIInChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyMVNHJEXPDKVMJY-DGCLKSJQSA-N
MW239.75 g/mol
LogP2.37
Rot. Bonds2

About [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol

[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 10657648) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol
PubChem CID10657648
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1
InChIInChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyMVNHJEXPDKVMJY-DGCLKSJQSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol (CID 10657648) is [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is MVNHJEXPDKVMJY-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol?
[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 10657648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).