3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine

C17H23N3 — CID 120781427

IUPAC3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2ccc3ncccc3c2)CCC1N
InChIInChI=1S/C17H23N3/c1-17(2)12-20(9-7-16(17)18)11-13-5-6-15-14(10-13)4-3-8-19-15/h3-6,8,10,16H,7,9,11-12,18H2,1-2H3
InChIKeyKVWPQLHFOXHHQJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.79
Rot. Bonds2

About 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine

3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine (PubChem CID 120781427) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
PubChem CID120781427
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2ccc3ncccc3c2)CCC1N
InChIInChI=1S/C17H23N3/c1-17(2)12-20(9-7-16(17)18)11-13-5-6-15-14(10-13)4-3-8-19-15/h3-6,8,10,16H,7,9,11-12,18H2,1-2H3
InChIKeyKVWPQLHFOXHHQJ-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64831911
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120782193
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine (CID 120781427) is 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine is CC1(C)CN(Cc2ccc3ncccc3c2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine?
The InChIKey is KVWPQLHFOXHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)12-20(9-7-16(17)18)11-13-5-6-15-14(10-13)4-3-8-19-15/h3-6,8,10,16H,7,9,11-12,18H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine?
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120781427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).