(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

C14H23F2NO2 — CID 138056301

IUPAC(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)C1(C)CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO2/c1-10-9-11(18)3-8-17(10)12(19)13(2)4-6-14(15,16)7-5-13/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyZRJXDCMWDHDPNJ-GHMZBOCLSA-N
MW275.34 g/mol
LogP2.57
Rot. Bonds1

About (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (PubChem CID 138056301) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
PubChem CID138056301
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)C1(C)CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO2/c1-10-9-11(18)3-8-17(10)12(19)13(2)4-6-14(15,16)7-5-13/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyZRJXDCMWDHDPNJ-GHMZBOCLSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 67953159
[(4S)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 67953212
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
[2-(2-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929144
(4,4-Difluorocyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 81932215
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
N-(3-hydroxypropyl)-N-propan-2-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932423
4,4-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932489
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 81932648
(3-Hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102958800
(4,4-Difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103859881

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (CID 138056301) is (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](O)CCN1C(=O)C1(C)CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The InChIKey is ZRJXDCMWDHDPNJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-10-9-11(18)3-8-17(10)12(19)13(2)4-6-14(15,16)7-5-13/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone has a molecular weight of 275.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 138056301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).