1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine

C18H29FN2 — CID 103505296

IUPAC1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29FN2/c1-4-17(20)18(15-7-5-6-8-16(15)19)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3
InChIKeyQYLZDEUTHSKKEV-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine

1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine (PubChem CID 103505296) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
PubChem CID103505296
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29FN2/c1-4-17(20)18(15-7-5-6-8-16(15)19)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3
InChIKeyQYLZDEUTHSKKEV-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 104688989
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine (CID 103505296) is 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine is CCC(N)C(c1ccccc1F)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The InChIKey is QYLZDEUTHSKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-17(20)18(15-7-5-6-8-16(15)19)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 103505296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).