4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine

C17H26F2N2 — CID 80610896

IUPAC4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1(C(F)F)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H26F2N2/c1-2-11-20-17(16(18)19)9-13-21(14-10-17)12-8-15-6-4-3-5-7-15/h3-7,16,20H,2,8-14H2,1H3
InChIKeyWTDNOTXUMQNBEO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.33
Rot. Bonds7

About 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine

4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine (PubChem CID 80610896) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
PubChem CID80610896
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1(C(F)F)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H26F2N2/c1-2-11-20-17(16(18)19)9-13-21(14-10-17)12-8-15-6-4-3-5-7-15/h3-7,16,20H,2,8-14H2,1H3
InChIKeyWTDNOTXUMQNBEO-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
CID 65234970
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 61006040
4-(2-phenylethyl)-N-propylpiperazine-1-carbothioamide
CID 2225307
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
(3S,4R)-4-(hydroxymethyl)-1-(2-phenylethyl)-4-propylpiperidin-3-ol
CID 155912185
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine (CID 80610896) is 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine is CCCNC1(C(F)F)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine?
The InChIKey is WTDNOTXUMQNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-2-11-20-17(16(18)19)9-13-21(14-10-17)12-8-15-6-4-3-5-7-15/h3-7,16,20H,2,8-14H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine?
4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 80610896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).