[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol

C11H22F2N2O — CID 123163817

IUPAC[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(CNCC(C)(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-10(12,13)7-14-8-11(9-16)3-5-15(2)6-4-11/h14,16H,3-9H2,1-2H3
InChIKeyUKOXHTCXCVCSFA-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.94
Rot. Bonds5

About [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol

[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol (PubChem CID 123163817) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol
PubChem CID123163817
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(CNCC(C)(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-10(12,13)7-14-8-11(9-16)3-5-15(2)6-4-11/h14,16H,3-9H2,1-2H3
InChIKeyUKOXHTCXCVCSFA-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-4-piperidinemethanol
CID 51072178
[4-(Trifluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 132300842
[4-(Difluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 155859027
[4-(Trifluoromethyl)piperidin-4-yl]methanol
CID 53401460
2,2,2-Trifluoro-1-(4-methylpiperidin-4-yl)ethanol
CID 68216019
(4-[[(2,2,2-Trifluoroethyl)-amino]methyl]piperidin-4-yl)methanol
CID 117941001
[1-Methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
CID 117950454
(1-(3,3,3-Trifluoro-2,2-dimethylpropyl)piperidin-4-yl)methanol
CID 118109864
[1-Tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
CID 130315581
[1-(Dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
CID 134375333
3-[(1-Tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol
CID 134505358
[1-Iodo-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
CID 138702200

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol (CID 123163817) is [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol is CN1CCC(CO)(CNCC(C)(F)F)CC1.
What is the InChIKey of [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol?
The InChIKey is UKOXHTCXCVCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-10(12,13)7-14-8-11(9-16)3-5-15(2)6-4-11/h14,16H,3-9H2,1-2H3.
What are the key properties of [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol?
[4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-difluoropropylamino)methyl]-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 123163817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).