1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine

C16H21N3 — CID 79234789

IUPAC1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN2CCCC(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-9-13(10-19-8-4-5-14(17)11-19)15-6-2-3-7-16(15)18-12/h2-3,6-7,9,14H,4-5,8,10-11,17H2,1H3
InChIKeySMHACKDEXHFVLD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.47
Rot. Bonds2

About 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine

1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine (PubChem CID 79234789) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
PubChem CID79234789
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN2CCCC(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-9-13(10-19-8-4-5-14(17)11-19)15-6-2-3-7-16(15)18-12/h2-3,6-7,9,14H,4-5,8,10-11,17H2,1H3
InChIKeySMHACKDEXHFVLD-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
CID 79230902
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
CID 80503449
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine (CID 79234789) is 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine is Cc1cc(CN2CCCC(N)C2)c2ccccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine?
The InChIKey is SMHACKDEXHFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-9-13(10-19-8-4-5-14(17)11-19)15-6-2-3-7-16(15)18-12/h2-3,6-7,9,14H,4-5,8,10-11,17H2,1H3.
What are the key properties of 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine?
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine has a molecular weight of 255.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79234789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).