N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide

C10H18F2N2O2 — CID 106169008

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C10H18F2N2O2/c1-8-2-4-14(5-3-8)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16)
InChIKeyGMOHNEAHRKZJSN-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.06
Rot. Bonds3

About N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide (PubChem CID 106169008) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide
PubChem CID106169008
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C10H18F2N2O2/c1-8-2-4-14(5-3-8)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16)
InChIKeyGMOHNEAHRKZJSN-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
(3S,4S)-3-fluoro-N-(2-hydroxyethyl)-4-methylpiperidine-1-carboxamide
CID 156329453
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
N,N-diethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75387290

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide (CID 106169008) is N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC(F)(F)CO)CC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is GMOHNEAHRKZJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-8-2-4-14(5-3-8)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106169008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).