2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine

C14H18F2N2 — CID 91533250

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine
SMILESC/N=C/C(c1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N2/c1-17-11-13(12-5-3-2-4-6-12)18-9-7-14(15,16)8-10-18/h2-6,11,13H,7-10H2,1H3/b17-11+
InChIKeyNSVHPIVCXYYMKI-GZTJUZNOSA-N
MW252.31 g/mol
LogP3.16
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine

2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine (PubChem CID 91533250) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine
PubChem CID91533250
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine
SMILESC/N=C/C(c1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N2/c1-17-11-13(12-5-3-2-4-6-12)18-9-7-14(15,16)8-10-18/h2-6,11,13H,7-10H2,1H3/b17-11+
InChIKeyNSVHPIVCXYYMKI-GZTJUZNOSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-Methyl-4-(1-phenyl-ethyl)-piperazine
CID 14364677
Diethyl-[(S)-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-amine
CID 44404549
Diethyl-[(R)-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-amine
CID 44404550
Diethyl-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-amine
CID 44404571
[2-(2,6-Difluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-diethyl-amine
CID 44404575
[2-(2,4-Difluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-diethyl-amine
CID 44404576
1-(2-Fluorobenzyl)-4-(propan-2-yl)piperazine
CID 882893
Diethyl-[2-(4-methyl-piperazin-1-yl)-2-(2-trifluoromethyl-phenyl)-ethyl]-amine
CID 44404564
Diethyl-[2-(4-methyl-piperazin-1-yl)-2-(3-trifluoromethyl-phenyl)-ethyl]-amine
CID 44404566
Diethyl-[2-(4-methyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-amine
CID 44404567
N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 155561050
1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 763606

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine (CID 91533250) is 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine is C/N=C/C(c1ccccc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine?
The InChIKey is NSVHPIVCXYYMKI-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-17-11-13(12-5-3-2-4-6-12)18-9-7-14(15,16)8-10-18/h2-6,11,13H,7-10H2,1H3/b17-11+.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine?
2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine has a molecular weight of 252.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine is sourced from PubChem (CID 91533250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).