(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine

C17H27FN2 — CID 176681929

IUPAC(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)N[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H27FN2/c1-12(2)19-16-9-10-20(13(3)4)17(11-16)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,9-11H2,1-4H3/t16-,17+/m1/s1
InChIKeyNJNAATNGCDTWII-SJORKVTESA-N
MW278.42 g/mol
LogP3.74
Rot. Bonds4

About (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine

(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine (PubChem CID 176681929) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine
PubChem CID176681929
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine
SMILESCC(C)N[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H27FN2/c1-12(2)19-16-9-10-20(13(3)4)17(11-16)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,9-11H2,1-4H3/t16-,17+/m1/s1
InChIKeyNJNAATNGCDTWII-SJORKVTESA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925003
2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 167460339
(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 165142129
(2R)-4,4-difluoro-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 155148305
(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
CID 140925009
(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine
CID 176681817
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine?
The IUPAC name of (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine (CID 176681929) is (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine?
The canonical SMILES for (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine is CC(C)N[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine?
The InChIKey is NJNAATNGCDTWII-SJORKVTESA-N. The full InChI is InChI=1S/C17H27FN2/c1-12(2)19-16-9-10-20(13(3)4)17(11-16)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,9-11H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine?
(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine has a molecular weight of 278.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine is sourced from PubChem (CID 176681929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).