(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol

C16H30FNO2 — CID 155721111

IUPAC(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCC(C(C)(C)F)CC1
InChIInChI=1S/C16H30FNO2/c1-11-15(20)14(19)8-9-18(11)10-12-4-6-13(7-5-12)16(2,3)17/h11-15,19-20H,4-10H2,1-3H3/t11-,12?,13?,14-,15-/m1/s1
InChIKeySRRRUUJONDDEFR-BZTHDZJNSA-N
MW287.42 g/mol
LogP2.36
Rot. Bonds3

About (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol

(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol (PubChem CID 155721111) has the molecular formula C16H30FNO2 and a molecular weight of 287.42 g/mol. Its IUPAC name is (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol
PubChem CID155721111
Molecular FormulaC16H30FNO2
Molecular Weight287.42 g/mol
Exact Mass287.23
IUPAC Name(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCC(C(C)(C)F)CC1
InChIInChI=1S/C16H30FNO2/c1-11-15(20)14(19)8-9-18(11)10-12-4-6-13(7-5-12)16(2,3)17/h11-15,19-20H,4-10H2,1-3H3/t11-,12?,13?,14-,15-/m1/s1
InChIKeySRRRUUJONDDEFR-BZTHDZJNSA-N
XLogP2.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol (CID 155721111) is (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol is C[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCC(C(C)(C)F)CC1.
What is the InChIKey of (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol?
The InChIKey is SRRRUUJONDDEFR-BZTHDZJNSA-N. The full InChI is InChI=1S/C16H30FNO2/c1-11-15(20)14(19)8-9-18(11)10-12-4-6-13(7-5-12)16(2,3)17/h11-15,19-20H,4-10H2,1-3H3/t11-,12?,13?,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol?
(2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol has a molecular weight of 287.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4-diol is sourced from PubChem (CID 155721111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).