4-(difluoromethyl)-1-phenylpiperidin-4-amine

C12H16F2N2 — CID 106821028

IUPAC4-(difluoromethyl)-1-phenylpiperidin-4-amine
SMILESNC1(C(F)F)CCN(c2ccccc2)CC1
InChIInChI=1S/C12H16F2N2/c13-11(14)12(15)6-8-16(9-7-12)10-4-2-1-3-5-10/h1-5,11H,6-9,15H2
InChIKeyXBZWZZHWKGFMNA-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.25
Rot. Bonds2

About 4-(difluoromethyl)-1-phenylpiperidin-4-amine

4-(difluoromethyl)-1-phenylpiperidin-4-amine (PubChem CID 106821028) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-phenylpiperidin-4-amine
PubChem CID106821028
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name4-(difluoromethyl)-1-phenylpiperidin-4-amine
SMILESNC1(C(F)F)CCN(c2ccccc2)CC1
InChIInChI=1S/C12H16F2N2/c13-11(14)12(15)6-8-16(9-7-12)10-4-2-1-3-5-10/h1-5,11H,6-9,15H2
InChIKeyXBZWZZHWKGFMNA-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine
CID 115037627
3-(difluoromethyl)-1-(2-fluorophenyl)pyrrolidin-3-amine
CID 115037625
1-(2-bromophenyl)-4-(difluoromethyl)azepan-4-amine
CID 115055745
1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
CID 176647450
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
1-fluoro-4-phenylpiperazine
CID 23450926
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
(3S,4R)-3-butyl-4-methyl-1-phenylpiperidin-4-amine
CID 68689554
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
4-cyclopropyl-1-phenylpiperidin-4-ol
CID 106820783
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-phenylpiperidin-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-phenylpiperidin-4-amine (CID 106821028) is 4-(difluoromethyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-phenylpiperidin-4-amine is NC1(C(F)F)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-phenylpiperidin-4-amine?
The InChIKey is XBZWZZHWKGFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-11(14)12(15)6-8-16(9-7-12)10-4-2-1-3-5-10/h1-5,11H,6-9,15H2.
What are the key properties of 4-(difluoromethyl)-1-phenylpiperidin-4-amine?
4-(difluoromethyl)-1-phenylpiperidin-4-amine has a molecular weight of 226.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 106821028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).