1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

C15H22F2N2 — CID 116906794

IUPAC1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(10-12-5-3-4-8-18-12)11-6-7-13(16)14(17)9-11/h6-7,9,12,15,18H,3-5,8,10H2,1-2H3
InChIKeyHHJLVLAERWJMDO-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (PubChem CID 116906794) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
PubChem CID116906794
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(10-12-5-3-4-8-18-12)11-6-7-13(16)14(17)9-11/h6-7,9,12,15,18H,3-5,8,10H2,1-2H3
InChIKeyHHJLVLAERWJMDO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (CID 116906794) is 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is CN(C)C(CC1CCCCN1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The InChIKey is HHJLVLAERWJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(2)15(10-12-5-3-4-8-18-12)11-6-7-13(16)14(17)9-11/h6-7,9,12,15,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116906794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).