(2,5-difluorophenyl)-piperidin-4-ylmethanamine

C12H16F2N2 — CID 82287809

IUPAC(2,5-difluorophenyl)-piperidin-4-ylmethanamine
SMILESNC(c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyFTPFCRBZHFEYQH-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.96
Rot. Bonds2

About (2,5-difluorophenyl)-piperidin-4-ylmethanamine

(2,5-difluorophenyl)-piperidin-4-ylmethanamine (PubChem CID 82287809) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2,5-difluorophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-piperidin-4-ylmethanamine
PubChem CID82287809
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name(2,5-difluorophenyl)-piperidin-4-ylmethanamine
SMILESNC(c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyFTPFCRBZHFEYQH-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(R)-piperidin-4-yl-(2,4,6-trifluorophenyl)methanamine;hydrochloride
CID 171314352
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
CID 90039118

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (2,5-difluorophenyl)-piperidin-4-ylmethanamine (CID 82287809) is (2,5-difluorophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (2,5-difluorophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (2,5-difluorophenyl)-piperidin-4-ylmethanamine is NC(c1cc(F)ccc1F)C1CCNCC1.
What is the InChIKey of (2,5-difluorophenyl)-piperidin-4-ylmethanamine?
The InChIKey is FTPFCRBZHFEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2.
What are the key properties of (2,5-difluorophenyl)-piperidin-4-ylmethanamine?
(2,5-difluorophenyl)-piperidin-4-ylmethanamine has a molecular weight of 226.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82287809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).