1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride

C18H23ClFN3 — CID 154646250

IUPAC1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(CN2CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C18H22FN3.ClH/c19-14-1-2-17-16(11-14)15(3-8-21-17)13-4-9-22(10-5-13)12-18(20)6-7-18;/h1-3,8,11,13H,4-7,9-10,12,20H2;1H
InChIKeyMBRBAMIDUZCGGD-UHFFFAOYSA-N
MW335.85 g/mol
LogP3.47
Rot. Bonds3

About 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride

1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride (PubChem CID 154646250) has the molecular formula C18H23ClFN3 and a molecular weight of 335.85 g/mol. Its IUPAC name is 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride
PubChem CID154646250
Molecular FormulaC18H23ClFN3
Molecular Weight335.85 g/mol
Exact Mass335.16
IUPAC Name1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(CN2CCC(c3ccnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C18H22FN3.ClH/c19-14-1-2-17-16(11-14)15(3-8-21-17)13-4-9-22(10-5-13)12-18(20)6-7-18;/h1-3,8,11,13H,4-7,9-10,12,20H2;1H
InChIKeyMBRBAMIDUZCGGD-UHFFFAOYSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride with MolForge

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Related Compounds

4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
CID 155683148
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride (CID 154646250) is 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(CN2CCC(c3ccnc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is MBRBAMIDUZCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3.ClH/c19-14-1-2-17-16(11-14)15(3-8-21-17)13-4-9-22(10-5-13)12-18(20)6-7-18;/h1-3,8,11,13H,4-7,9-10,12,20H2;1H.
What are the key properties of 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride?
1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 335.85 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]methyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 154646250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).