3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride

C17H25Cl2N3 — CID 120774118

IUPAC3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCC1(C)CN(Cc2ccc3ccccc3n2)CCC1N.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-17(2)12-20(10-9-16(17)18)11-14-8-7-13-5-3-4-6-15(13)19-14;;/h3-8,16H,9-12,18H2,1-2H3;2*1H
InChIKeyUKXGJWDVFSALHE-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.64
Rot. Bonds2

About 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride

3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride (PubChem CID 120774118) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
PubChem CID120774118
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC Name3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCC1(C)CN(Cc2ccc3ccccc3n2)CCC1N.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-17(2)12-20(10-9-16(17)18)11-14-8-7-13-5-3-4-6-15(13)19-14;;/h3-8,16H,9-12,18H2,1-2H3;2*1H
InChIKeyUKXGJWDVFSALHE-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108
2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64834096
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
2-[[4-(1-bromoethyl)piperidin-1-yl]methyl]quinoline
CID 106838403
1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114268775
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride (CID 120774118) is 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride is CC1(C)CN(Cc2ccc3ccccc3n2)CCC1N.Cl.Cl.
What is the InChIKey of 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is UKXGJWDVFSALHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.2ClH/c1-17(2)12-20(10-9-16(17)18)11-14-8-7-13-5-3-4-6-15(13)19-14;;/h3-8,16H,9-12,18H2,1-2H3;2*1H.
What are the key properties of 3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride?
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 3.64, 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-2-ylmethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 120774118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).