(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol

C16H31NO3 — CID 155286527

IUPAC(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESCC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1
InChIInChI=1S/C16H31NO3/c1-10(2)13-6-4-12(5-7-13)8-17-9-14(18)16(20)15(19)11(17)3/h10-16,18-20H,4-9H2,1-3H3/t11-,12?,13?,14+,15-,16-/m1/s1
InChIKeyLPVXORMMMXNFSI-ZESKOJNGSA-N
MW285.43 g/mol
LogP1.24
Rot. Bonds3

About (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol (PubChem CID 155286527) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
PubChem CID155286527
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESCC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1
InChIInChI=1S/C16H31NO3/c1-10(2)13-6-4-12(5-7-13)8-17-9-14(18)16(20)15(19)11(17)3/h10-16,18-20H,4-9H2,1-3H3/t11-,12?,13?,14+,15-,16-/m1/s1
InChIKeyLPVXORMMMXNFSI-ZESKOJNGSA-N
XLogP1.24
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol (CID 155286527) is (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol is CC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The InChIKey is LPVXORMMMXNFSI-ZESKOJNGSA-N. The full InChI is InChI=1S/C16H31NO3/c1-10(2)13-6-4-12(5-7-13)8-17-9-14(18)16(20)15(19)11(17)3/h10-16,18-20H,4-9H2,1-3H3/t11-,12?,13?,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol has a molecular weight of 285.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).