[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone

C17H21N3O — CID 114960494

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
SMILESCC1CCN(C(=O)c2cccc3cccnc23)CC1CN
InChIInChI=1S/C17H21N3O/c1-12-7-9-20(11-14(12)10-18)17(21)15-6-2-4-13-5-3-8-19-16(13)15/h2-6,8,12,14H,7,9-11,18H2,1H3
InChIKeyOIBTWEFHHOCWJF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.29
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 114960494) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
PubChem CID114960494
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
SMILESCC1CCN(C(=O)c2cccc3cccnc23)CC1CN
InChIInChI=1S/C17H21N3O/c1-12-7-9-20(11-14(12)10-18)17(21)15-6-2-4-13-5-3-8-19-16(13)15/h2-6,8,12,14H,7,9-11,18H2,1H3
InChIKeyOIBTWEFHHOCWJF-UHFFFAOYSA-N
XLogP2.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone (CID 114960494) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone is CC1CCN(C(=O)c2cccc3cccnc23)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is OIBTWEFHHOCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-9-20(11-14(12)10-18)17(21)15-6-2-4-13-5-3-8-19-16(13)15/h2-6,8,12,14H,7,9-11,18H2,1H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 283.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 114960494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).