(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol

C19H30N2O2 — CID 70726230

IUPAC(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@@]1(O)C1CC1
InChIInChI=1S/C19H30N2O2/c1-14-12-21(10-9-19(14,22)16-7-8-16)13-17-11-18(20-23-17)15-5-3-2-4-6-15/h11,14-16,22H,2-10,12-13H2,1H3/t14-,19+/m1/s1
InChIKeyMXUMUCSHBLBKFQ-KUHUBIRLSA-N
MW318.46 g/mol
LogP3.71
Rot. Bonds4

About (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol

(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol (PubChem CID 70726230) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol
PubChem CID70726230
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@@]1(O)C1CC1
InChIInChI=1S/C19H30N2O2/c1-14-12-21(10-9-19(14,22)16-7-8-16)13-17-11-18(20-23-17)15-5-3-2-4-6-15/h11,14-16,22H,2-10,12-13H2,1H3/t14-,19+/m1/s1
InChIKeyMXUMUCSHBLBKFQ-KUHUBIRLSA-N
XLogP3.71
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol (CID 70726230) is (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol is C[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol?
The InChIKey is MXUMUCSHBLBKFQ-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-12-21(10-9-19(14,22)16-7-8-16)13-17-11-18(20-23-17)15-5-3-2-4-6-15/h11,14-16,22H,2-10,12-13H2,1H3/t14-,19+/m1/s1.
What are the key properties of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol?
(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol has a molecular weight of 318.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-cyclopropyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 70726230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).