2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride

C18H26ClFN2O — CID 119736883

IUPAC2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O.ClH/c19-17-3-1-2-16(11-17)10-14-6-8-21(9-7-14)18(22)13-20-12-15-4-5-15;/h1-3,11,14-15,20H,4-10,12-13H2;1H
InChIKeyXVIQQLIDSXGYNM-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.03
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119736883) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
PubChem CID119736883
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O.ClH/c19-17-3-1-2-16(11-17)10-14-6-8-21(9-7-14)18(22)13-20-12-15-4-5-15;/h1-3,11,14-15,20H,4-10,12-13H2;1H
InChIKeyXVIQQLIDSXGYNM-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 119803556
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride (CID 119736883) is 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(CNCC1CC1)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is XVIQQLIDSXGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c19-17-3-1-2-16(11-17)10-14-6-8-21(9-7-14)18(22)13-20-12-15-4-5-15;/h1-3,11,14-15,20H,4-10,12-13H2;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119736883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).