(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C16H25FN2 — CID 93258463

IUPAC(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)[C@@H](C)C[C@@H]1NCCc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-12-11-19(3)13(2)10-16(12)18-9-8-14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3/t12-,13+,16+/m1/s1
InChIKeyWFPZAPNLWPQIOM-WWGRRREGSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds4

About (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 93258463) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID93258463
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)[C@@H](C)C[C@@H]1NCCc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-12-11-19(3)13(2)10-16(12)18-9-8-14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3/t12-,13+,16+/m1/s1
InChIKeyWFPZAPNLWPQIOM-WWGRRREGSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665339
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
1,5-dimethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81301413
1,2,5-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 61212215
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
CID 43665443
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 60859803
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 93258463) is (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is C[C@@H]1CN(C)[C@@H](C)C[C@@H]1NCCc1ccccc1F.
What is the InChIKey of (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is WFPZAPNLWPQIOM-WWGRRREGSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-11-19(3)13(2)10-16(12)18-9-8-14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3/t12-,13+,16+/m1/s1.
What are the key properties of (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 93258463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).