(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine

C15H23FN2 — CID 176681817

IUPAC(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine
SMILESCCN[C@@H]1CCN(CC)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-14-9-10-18(4-2)15(11-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyIKTXPBGTICOYGN-CABCVRRESA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds4

About (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine

(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine (PubChem CID 176681817) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine
PubChem CID176681817
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine
SMILESCCN[C@@H]1CCN(CC)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-14-9-10-18(4-2)15(11-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyIKTXPBGTICOYGN-CABCVRRESA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Isopropylbenzylamine
CID 66024
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
Norbenzphetamine
CID 102554
2-Benzylpiperidine
CID 118004
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
N-Benzylamphetamine
CID 10149140

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine?
The IUPAC name of (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine (CID 176681817) is (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine is CCN[C@@H]1CCN(CC)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine?
The InChIKey is IKTXPBGTICOYGN-CABCVRRESA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-14-9-10-18(4-2)15(11-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine?
(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 176681817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).