1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

C15H22F2N2 — CID 116906884

IUPAC1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCN(C)C(CC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2/c1-19(2)15(9-11-5-7-18-8-6-11)13-10-12(16)3-4-14(13)17/h3-4,10-11,15,18H,5-9H2,1-2H3
InChIKeyRSXMFSFCTYCMGQ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (PubChem CID 116906884) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
PubChem CID116906884
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCN(C)C(CC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2/c1-19(2)15(9-11-5-7-18-8-6-11)13-10-12(16)3-4-14(13)17/h3-4,10-11,15,18H,5-9H2,1-2H3
InChIKeyRSXMFSFCTYCMGQ-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-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (CID 116906884) is 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is CN(C)C(CC1CCNCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The InChIKey is RSXMFSFCTYCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(2)15(9-11-5-7-18-8-6-11)13-10-12(16)3-4-14(13)17/h3-4,10-11,15,18H,5-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-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-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116906884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).