1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine

C17H22F2N4 — CID 119128794

IUPAC1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cncc1CNC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C17H22F2N4/c1-22-12-20-8-14(22)9-21-13-4-3-7-23(10-13)11-15-16(18)5-2-6-17(15)19/h2,5-6,8,12-13,21H,3-4,7,9-11H2,1H3
InChIKeyHYUOEAQKKCPCQK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine

1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine (PubChem CID 119128794) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
PubChem CID119128794
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cncc1CNC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C17H22F2N4/c1-22-12-20-8-14(22)9-21-13-4-3-7-23(10-13)11-15-16(18)5-2-6-17(15)19/h2,5-6,8,12-13,21H,3-4,7,9-11H2,1H3
InChIKeyHYUOEAQKKCPCQK-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119125088
3-chloro-2-fluoro-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]benzamide
CID 166287232
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592
(4S)-8-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 124699987
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
CID 56787135

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine (CID 119128794) is 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine is Cn1cncc1CNC1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is HYUOEAQKKCPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4/c1-22-12-20-8-14(22)9-21-13-4-3-7-23(10-13)11-15-16(18)5-2-6-17(15)19/h2,5-6,8,12-13,21H,3-4,7,9-11H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine?
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 320.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 119128794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).