(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol

C14H21NO3 — CID 23244042

IUPAC(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
SMILESC[C@]1(O)C[C@@H](c2ccccc2)NC(CO)(CO)C1
InChIInChI=1S/C14H21NO3/c1-13(18)7-12(11-5-3-2-4-6-11)15-14(8-13,9-16)10-17/h2-6,12,15-18H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyOJMXKJZMABVOTN-STQMWFEESA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds3

About (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol

(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol (PubChem CID 23244042) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
PubChem CID23244042
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
SMILESC[C@]1(O)C[C@@H](c2ccccc2)NC(CO)(CO)C1
InChIInChI=1S/C14H21NO3/c1-13(18)7-12(11-5-3-2-4-6-11)15-14(8-13,9-16)10-17/h2-6,12,15-18H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyOJMXKJZMABVOTN-STQMWFEESA-N
XLogP0.59
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol?
The IUPAC name of (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol (CID 23244042) is (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol.
What is the SMILES notation for (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol?
The canonical SMILES for (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol is C[C@]1(O)C[C@@H](c2ccccc2)NC(CO)(CO)C1.
What is the InChIKey of (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol?
The InChIKey is OJMXKJZMABVOTN-STQMWFEESA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(18)7-12(11-5-3-2-4-6-11)15-14(8-13,9-16)10-17/h2-6,12,15-18H,7-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol?
(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol is sourced from PubChem (CID 23244042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).