(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C14H20ClFN2O — CID 119397460

IUPAC(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12;/h4-7,11,16H,2-3,8-10H2,1H3;1H
InChIKeyDSDYCAVHTOFGCS-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.32
Rot. Bonds3

About (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119397460) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119397460
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12;/h4-7,11,16H,2-3,8-10H2,1H3;1H
InChIKeyDSDYCAVHTOFGCS-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one;hydrochloride
CID 126778619
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
[3-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119397113
(E)-3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 132969898
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119397460) is (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DSDYCAVHTOFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12;/h4-7,11,16H,2-3,8-10H2,1H3;1H.
What are the key properties of (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119397460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).