4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol

C20H42F2N2O — CID 177223610

IUPAC4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol
SMILESCC.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCC(O)CC1
InChIInChI=1S/C9H17F2N.C9H19NO.C2H6/c1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)7-10-5-3-9(11)4-6-10;1-2/h8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyWPQGETNPOCOVKQ-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.50
Rot. Bonds4

About 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol

4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol (PubChem CID 177223610) has the molecular formula C20H42F2N2O and a molecular weight of 364.57 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol
PubChem CID177223610
Molecular FormulaC20H42F2N2O
Molecular Weight364.57 g/mol
Exact Mass364.33
IUPAC Name4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol
SMILESCC.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCC(O)CC1
InChIInChI=1S/C9H17F2N.C9H19NO.C2H6/c1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)7-10-5-3-9(11)4-6-10;1-2/h8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyWPQGETNPOCOVKQ-UHFFFAOYSA-N
XLogP4.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-Difluoro-2-methylpropyl)piperidin-4-ol
CID 90419773
1-[1-[4-[(1-Tert-butylpiperidin-4-yl)methoxy]-2-methylbutan-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 135275014
1-[5-[4-(2-Fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
CID 137425990
1-Methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
CID 143876430
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 155302705
1-[5-(4,4-Difluoropiperidin-1-yl)hexan-2-yl]piperidin-4-ol
CID 156455962
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 157039324
1-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]piperidin-4-ol
CID 166834210
(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol
CID 174853437
1-[(1-Butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
CID 165116509
CID 69289329
CID 69289329
1-Butylpiperidin-4-ol;1-ethylpiperidin-4-ol
CID 70483502

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol (CID 177223610) is 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol is CC.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCC(O)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol?
The InChIKey is WPQGETNPOCOVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.C9H19NO.C2H6/c1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)7-10-5-3-9(11)4-6-10;1-2/h8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol?
4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol has a molecular weight of 364.57 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 177223610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).