2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine

C15H22F2N2 — CID 167460339

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCNC1CCN(C(C)C)C(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-10(2)19-5-4-14(18-3)9-15(19)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,4-5,9H2,1-3H3
InChIKeyNVLGREOOHHFPRD-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.10
Rot. Bonds3

About 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine

2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 167460339) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID167460339
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCNC1CCN(C(C)C)C(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-10(2)19-5-4-14(18-3)9-15(19)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,4-5,9H2,1-3H3
InChIKeyNVLGREOOHHFPRD-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine
CID 176681929
(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 165142129
(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925003
1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 114263163
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
CID 140925009
5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
CID 106534346

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 167460339) is 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine is CNC1CCN(C(C)C)C(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is NVLGREOOHHFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)19-5-4-14(18-3)9-15(19)11-6-12(16)8-13(17)7-11/h6-8,10,14-15,18H,4-5,9H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine?
2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 167460339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).