(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine

C16H20F2N4 — CID 124610098

IUPAC(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
SMILESFC(F)n1ccnc1CN1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H20F2N4/c17-16(18)22-10-8-19-15(22)12-21-9-4-7-14(11-21)20-13-5-2-1-3-6-13/h1-3,5-6,8,10,14,16,20H,4,7,9,11-12H2/t14-/m0/s1
InChIKeyKESIVGTXBQOKBW-AWEZNQCLSA-N
MW306.36 g/mol
LogP3.35
Rot. Bonds5

About (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine

(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine (PubChem CID 124610098) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
PubChem CID124610098
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
SMILESFC(F)n1ccnc1CN1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H20F2N4/c17-16(18)22-10-8-19-15(22)12-21-9-4-7-14(11-21)20-13-5-2-1-3-6-13/h1-3,5-6,8,10,14,16,20H,4,7,9,11-12H2/t14-/m0/s1
InChIKeyKESIVGTXBQOKBW-AWEZNQCLSA-N
XLogP3.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63848303
(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidin-3-amine
CID 124743111
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263806
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 71900678
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 78832010
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 78847721
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine?
The IUPAC name of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine (CID 124610098) is (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine?
The canonical SMILES for (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine is FC(F)n1ccnc1CN1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine?
The InChIKey is KESIVGTXBQOKBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F2N4/c17-16(18)22-10-8-19-15(22)12-21-9-4-7-14(11-21)20-13-5-2-1-3-6-13/h1-3,5-6,8,10,14,16,20H,4,7,9,11-12H2/t14-/m0/s1.
What are the key properties of (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine?
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine has a molecular weight of 306.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 124610098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).