1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine

C18H29F2N3 — CID 75514114

IUPAC1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(C)(C)CNCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H29F2N3/c1-18(2,23-7-5-17(6-8-23)22(3)4)13-21-12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,5-8,12-13H2,1-4H3
InChIKeyAFUZJHURDICOFB-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine

1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 75514114) has the molecular formula C18H29F2N3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID75514114
Molecular FormulaC18H29F2N3
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C(C)(C)CNCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H29F2N3/c1-18(2,23-7-5-17(6-8-23)22(3)4)13-21-12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,5-8,12-13H2,1-4H3
InChIKeyAFUZJHURDICOFB-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3,5-difluorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113338369
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
CID 97240054
3-chloro-N-[(3,5-difluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105409055
1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585866
2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol
CID 107685334
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
CID 140622443
CID 140622443
N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
CID 103851702
methyl 3-[(3,5-difluorophenyl)methylamino]-2,2-dimethylpropanoate
CID 86784839
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine (CID 75514114) is 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C(C)(C)CNCc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AFUZJHURDICOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N3/c1-18(2,23-7-5-17(6-8-23)22(3)4)13-21-12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,5-8,12-13H2,1-4H3.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 325.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 75514114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).