7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride

C18H28ClFN2O — CID 119810095

IUPAC7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O.ClH/c19-16-11-9-15(10-12-16)17-7-4-6-14-21(17)18(22)8-3-1-2-5-13-20;/h9-12,17H,1-8,13-14,20H2;1H
InChIKeyGTVAUZMIYZZEMW-UHFFFAOYSA-N
MW342.89 g/mol
LogP4.21
Rot. Bonds7

About 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride

7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride (PubChem CID 119810095) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
PubChem CID119810095
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC Name7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O.ClH/c19-16-11-9-15(10-12-16)17-7-4-6-14-21(17)18(22)8-3-1-2-5-13-20;/h9-12,17H,1-8,13-14,20H2;1H
InChIKeyGTVAUZMIYZZEMW-UHFFFAOYSA-N
XLogP4.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
7-amino-1-[2-(4-methoxyphenyl)azepan-1-yl]heptan-1-one
CID 119695933
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 125120184
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride (CID 119810095) is 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The InChIKey is GTVAUZMIYZZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c19-16-11-9-15(10-12-16)17-7-4-6-14-21(17)18(22)8-3-1-2-5-13-20;/h9-12,17H,1-8,13-14,20H2;1H.
What are the key properties of 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride?
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119810095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).