(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol

C10H21NO — CID 6983586

IUPAC(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol
SMILESCC[C@]1(O)C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C10H21NO/c1-5-10(12)6-9(3)11(4)7-8(10)2/h8-9,12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyXEOCATJPKSQIPI-UTLUCORTSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol

(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol (PubChem CID 6983586) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol
PubChem CID6983586
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol
SMILESCC[C@]1(O)C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C10H21NO/c1-5-10(12)6-9(3)11(4)7-8(10)2/h8-9,12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyXEOCATJPKSQIPI-UTLUCORTSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
CID 98110141
1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol
CID 12689074
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 11871665
(2S,4S,5S)-4-[2-[(2R,4S,5R)-4-hydroxy-1,2,5-trimethylpiperidin-4-yl]ethynyl]-1,2,5-trimethylpiperidin-4-ol
CID 11897115
(2R,4S,5S)-4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
CID 7007076
1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol
CID 52943448
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
CID 51412260
4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 3105295
(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
CID 11879284
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
CID 7319653
(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 10397451

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol (CID 6983586) is (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol is CC[C@]1(O)C[C@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is XEOCATJPKSQIPI-UTLUCORTSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(12)6-9(3)11(4)7-8(10)2/h8-9,12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol?
(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 6983586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).