1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one

C18H26F2N2O2 — CID 142387595

IUPAC1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one
SMILESCCCCOc1ccc(C(F)(F)CC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C18H26F2N2O2/c1-2-3-12-24-16-6-4-14(5-7-16)18(19,20)13-17(23)22-10-8-15(21)9-11-22/h4-7,15H,2-3,8-13,21H2,1H3
InChIKeyGSOBULLMMGUQSU-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.30
Rot. Bonds7

About 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one

1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one (PubChem CID 142387595) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one
PubChem CID142387595
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one
SMILESCCCCOc1ccc(C(F)(F)CC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C18H26F2N2O2/c1-2-3-12-24-16-6-4-14(5-7-16)18(19,20)13-17(23)22-10-8-15(21)9-11-22/h4-7,15H,2-3,8-13,21H2,1H3
InChIKeyGSOBULLMMGUQSU-UHFFFAOYSA-N
XLogP3.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
CID 142387276
1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropan-1-one;S-[4-(cyclohexylmethoxy)phenyl]thiohydroxylamine
CID 142387384
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
bis(4-dodecoxyphenyl) piperidine-1,4-dicarboxylate
CID 14473790
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one (CID 142387595) is 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one is CCCCOc1ccc(C(F)(F)CC(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one?
The InChIKey is GSOBULLMMGUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-2-3-12-24-16-6-4-14(5-7-16)18(19,20)13-17(23)22-10-8-15(21)9-11-22/h4-7,15H,2-3,8-13,21H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one?
1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one has a molecular weight of 340.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one is sourced from PubChem (CID 142387595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).