N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

C15H26F2N4 — CID 63854954

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-5-3-4-7-20(13)11-14-19-6-8-21(14)15(16)17/h6,8,12-13,15,18H,3-5,7,9-11H2,1-2H3
InChIKeySRXWTPVQYUICBO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.88
Rot. Bonds7

About N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63854954) has the molecular formula C15H26F2N4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63854954
Molecular FormulaC15H26F2N4
Molecular Weight300.40 g/mol
Exact Mass300.21
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-5-3-4-7-20(13)11-14-19-6-8-21(14)15(16)17/h6,8,12-13,15,18H,3-5,7,9-11H2,1-2H3
InChIKeySRXWTPVQYUICBO-UHFFFAOYSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]azepan-2-yl]methanol
CID 116637538
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 55257415
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353045
ethyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
CID 124545322
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 63854954) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SRXWTPVQYUICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-5-3-4-7-20(13)11-14-19-6-8-21(14)15(16)17/h6,8,12-13,15,18H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).