(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

C18H30N2O2 — CID 70751478

IUPAC(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O
InChIInChI=1S/C18H30N2O2/c1-17(2)13-20(10-9-18(17,3)21)12-15-11-16(19-22-15)14-7-5-4-6-8-14/h11,14,21H,4-10,12-13H2,1-3H3/t18-/m0/s1
InChIKeyUANSJNKHCBCDDG-SFHVURJKSA-N
MW306.45 g/mol
LogP3.71
Rot. Bonds3

About (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 70751478) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID70751478
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O
InChIInChI=1S/C18H30N2O2/c1-17(2)13-20(10-9-18(17,3)21)12-15-11-16(19-22-15)14-7-5-4-6-8-14/h11,14,21H,4-10,12-13H2,1-3H3/t18-/m0/s1
InChIKeyUANSJNKHCBCDDG-SFHVURJKSA-N
XLogP3.71
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (CID 70751478) is (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is CC1(C)CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O.
What is the InChIKey of (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is UANSJNKHCBCDDG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2)13-20(10-9-18(17,3)21)12-15-11-16(19-22-15)14-7-5-4-6-8-14/h11,14,21H,4-10,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 306.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 70751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).