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

C15H22F2N2 — CID 116906841

IUPAC1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCN(C)C(CC1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-11-4-3-7-18-10-11)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyPMNWDPNANCYSPM-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (PubChem CID 116906841) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
PubChem CID116906841
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCN(C)C(CC1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-11-4-3-7-18-10-11)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyPMNWDPNANCYSPM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625264
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (CID 116906841) is 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is CN(C)C(CC1CCCNC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The InChIKey is PMNWDPNANCYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(2)15(8-11-4-3-7-18-10-11)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116906841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).