(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine

C13H19FN2 — CID 174552851

IUPAC(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine
SMILESCCc1ccccc1N1CC[C@@H](N)[C@H](F)C1
InChIInChI=1S/C13H19FN2/c1-2-10-5-3-4-6-13(10)16-8-7-12(15)11(14)9-16/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1
InChIKeyURVDCQZXHWTPJB-VXGBXAGGSA-N
MW222.31 g/mol
LogP2.12
Rot. Bonds2

About (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine

(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine (PubChem CID 174552851) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine
PubChem CID174552851
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine
SMILESCCc1ccccc1N1CC[C@@H](N)[C@H](F)C1
InChIInChI=1S/C13H19FN2/c1-2-10-5-3-4-6-13(10)16-8-7-12(15)11(14)9-16/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1
InChIKeyURVDCQZXHWTPJB-VXGBXAGGSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide
CID 91462308
1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
CID 117025017
5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
CID 166683418
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine?
The IUPAC name of (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine (CID 174552851) is (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine.
What is the SMILES notation for (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine?
The canonical SMILES for (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine is CCc1ccccc1N1CC[C@@H](N)[C@H](F)C1.
What is the InChIKey of (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine?
The InChIKey is URVDCQZXHWTPJB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-10-5-3-4-6-13(10)16-8-7-12(15)11(14)9-16/h3-6,11-12H,2,7-9,15H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine?
(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine is sourced from PubChem (CID 174552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).