1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine

C17H26F2N2O — CID 97321883

IUPAC1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1cccc(OC[C@@H](C)NC2CCN(CC(F)F)CC2)c1
InChIInChI=1S/C17H26F2N2O/c1-13-4-3-5-16(10-13)22-12-14(2)20-15-6-8-21(9-7-15)11-17(18)19/h3-5,10,14-15,17,20H,6-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyZMXMBDMVVBJRMA-CQSZACIVSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine (PubChem CID 97321883) has the molecular formula C17H26F2N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
PubChem CID97321883
Molecular FormulaC17H26F2N2O
Molecular Weight312.40 g/mol
Exact Mass312.20
IUPAC Name1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1cccc(OC[C@@H](C)NC2CCN(CC(F)F)CC2)c1
InChIInChI=1S/C17H26F2N2O/c1-13-4-3-5-16(10-13)22-12-14(2)20-15-6-8-21(9-7-15)11-17(18)19/h3-5,10,14-15,17,20H,6-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyZMXMBDMVVBJRMA-CQSZACIVSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-[1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 75427712
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine (CID 97321883) is 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine is Cc1cccc(OC[C@@H](C)NC2CCN(CC(F)F)CC2)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine?
The InChIKey is ZMXMBDMVVBJRMA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26F2N2O/c1-13-4-3-5-16(10-13)22-12-14(2)20-15-6-8-21(9-7-15)11-17(18)19/h3-5,10,14-15,17,20H,6-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 97321883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).