1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine

C14H21FN2 — CID 176647450

IUPAC1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
SMILESCC(C)C1(N)CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-11(2)14(16)6-8-17(9-7-14)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyKGROWNPMSNUTBJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine

1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine (PubChem CID 176647450) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
PubChem CID176647450
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
SMILESCC(C)C1(N)CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-11(2)14(16)6-8-17(9-7-14)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyKGROWNPMSNUTBJ-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-4-(isocyanomethyl)-4-propan-2-ylpiperidine
CID 176647621
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
1-(3-fluorophenyl)-4-iodopiperidin-4-ol
CID 167250481
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
4-(difluoromethyl)-1-phenylpiperidin-4-amine
CID 106821028
4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 82298497
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
1-(3-fluorophenyl)-4-methylsulfonylpiperidine
CID 138533528

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine (CID 176647450) is 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine is CC(C)C1(N)CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine?
The InChIKey is KGROWNPMSNUTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(2)14(16)6-8-17(9-7-14)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine?
1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 176647450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).