(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol

C7H13NO — CID 175988145

IUPAC(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol
SMILESCC1C=NCC(C)[C@@H]1O
InChIInChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h3,5-7,9H,4H2,1-2H3/t5?,6?,7-/m1/s1
InChIKeyPOMZPOULYMUFFO-KPGICGJXSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds

About (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol

(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol (PubChem CID 175988145) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol.

Molecular Properties

Compound Name(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol
PubChem CID175988145
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol
SMILESCC1C=NCC(C)[C@@H]1O
InChIInChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h3,5-7,9H,4H2,1-2H3/t5?,6?,7-/m1/s1
InChIKeyPOMZPOULYMUFFO-KPGICGJXSA-N
XLogP0.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol?
The IUPAC name of (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol (CID 175988145) is (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol.
What is the SMILES notation for (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol?
The canonical SMILES for (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol is CC1C=NCC(C)[C@@H]1O.
What is the InChIKey of (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol?
The InChIKey is POMZPOULYMUFFO-KPGICGJXSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h3,5-7,9H,4H2,1-2H3/t5?,6?,7-/m1/s1.
What are the key properties of (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol?
(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol has a molecular weight of 127.19 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol is sourced from PubChem (CID 175988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).