1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C19H33ClN2O2 — CID 120781441

IUPAC1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCCOc1ccc(CN2CCC(N)C(C)(C)C2)cc1OCC.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-5-11-23-16-8-7-15(12-17(16)22-6-2)13-21-10-9-18(20)19(3,4)14-21;/h7-8,12,18H,5-6,9-11,13-14,20H2,1-4H3;1H
InChIKeyXAAUOBXTBSUKHG-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.86
Rot. Bonds7

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

1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120781441) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120781441
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCCOc1ccc(CN2CCC(N)C(C)(C)C2)cc1OCC.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-5-11-23-16-8-7-15(12-17(16)22-6-2)13-21-10-9-18(20)19(3,4)14-21;/h7-8,12,18H,5-6,9-11,13-14,20H2,1-4H3;1H
InChIKeyXAAUOBXTBSUKHG-UHFFFAOYSA-N
XLogP3.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
1-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781865
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781571
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120781441) is 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CCCOc1ccc(CN2CCC(N)C(C)(C)C2)cc1OCC.Cl.
What is the InChIKey of 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is XAAUOBXTBSUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-5-11-23-16-8-7-15(12-17(16)22-6-2)13-21-10-9-18(20)19(3,4)14-21;/h7-8,12,18H,5-6,9-11,13-14,20H2,1-4H3;1H.
What are the key properties of 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).