1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H26ClN3O — CID 120782108

IUPAC1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCOc1cccc(CN2CCC(N)C(C)(C)C2)n1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-4-19-14-7-5-6-12(17-14)10-18-9-8-13(16)15(2,3)11-18;/h5-7,13H,4,8-11,16H2,1-3H3;1H
InChIKeyHBMYWUSIJRBHJE-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.46
Rot. Bonds4

About 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782108) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782108
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCOc1cccc(CN2CCC(N)C(C)(C)C2)n1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-4-19-14-7-5-6-12(17-14)10-18-9-8-13(16)15(2,3)11-18;/h5-7,13H,4,8-11,16H2,1-3H3;1H
InChIKeyHBMYWUSIJRBHJE-UHFFFAOYSA-N
XLogP2.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
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
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3,3-dimethyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-amine
CID 120781752

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782108) is 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CCOc1cccc(CN2CCC(N)C(C)(C)C2)n1.Cl.
What is the InChIKey of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is HBMYWUSIJRBHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-4-19-14-7-5-6-12(17-14)10-18-9-8-13(16)15(2,3)11-18;/h5-7,13H,4,8-11,16H2,1-3H3;1H.
What are the key properties of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).