(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol

C14H22NO+ — CID 6944225

IUPAC(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
SMILESC[NH+]1CC[C@](O)(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H21NO/c1-13(2)11-15(3)10-9-14(13,16)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t14-/m0/s1
InChIKeyULHMJMVAPSQRBO-AWEZNQCLSA-O
MW220.34 g/mol
LogP0.82
Rot. Bonds1

About (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol

(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol (PubChem CID 6944225) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
PubChem CID6944225
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
SMILESC[NH+]1CC[C@](O)(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H21NO/c1-13(2)11-15(3)10-9-14(13,16)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t14-/m0/s1
InChIKeyULHMJMVAPSQRBO-AWEZNQCLSA-O
XLogP0.82
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-ol
CID 766368
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413

Frequently Asked Questions

What is the IUPAC name of (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol?
The IUPAC name of (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol (CID 6944225) is (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol?
The canonical SMILES for (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol is C[NH+]1CC[C@](O)(c2ccccc2)C(C)(C)C1.
What is the InChIKey of (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol?
The InChIKey is ULHMJMVAPSQRBO-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H21NO/c1-13(2)11-15(3)10-9-14(13,16)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t14-/m0/s1.
What are the key properties of (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol?
(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol has a molecular weight of 220.34 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 6944225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).