N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine

C15H22F2N2 — CID 115649937

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-10-9-19(3)7-6-15(10)18-11(2)12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3
InChIKeyNANOYUIIHKKGOI-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine

N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115649937) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115649937
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-10-9-19(3)7-6-15(10)18-11(2)12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3
InChIKeyNANOYUIIHKKGOI-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
1-[(3R,4S)-4-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024489
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115649937) is N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine is CC(NC1CCN(C)CC1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is NANOYUIIHKKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10-9-19(3)7-6-15(10)18-11(2)12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115649937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).