N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine

C16H25FN2 — CID 81348101

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-12(11-16-5-3-4-10-18-16)19-13(2)14-6-8-15(17)9-7-14/h6-9,12-13,16,18-19H,3-5,10-11H2,1-2H3/t12?,13-,16?/m0/s1
InChIKeyGIWKGMXILZAKKV-UYJPIKCFSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 81348101) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID81348101
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-12(11-16-5-3-4-10-18-16)19-13(2)14-6-8-15(17)9-7-14/h6-9,12-13,16,18-19H,3-5,10-11H2,1-2H3/t12?,13-,16?/m0/s1
InChIKeyGIWKGMXILZAKKV-UYJPIKCFSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
CID 79538316
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine (CID 81348101) is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is GIWKGMXILZAKKV-UYJPIKCFSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(11-16-5-3-4-10-18-16)19-13(2)14-6-8-15(17)9-7-14/h6-9,12-13,16,18-19H,3-5,10-11H2,1-2H3/t12?,13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 81348101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).