[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine

C16H26N2O — CID 117021543

IUPAC[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
SMILESCCOc1ccccc1N1CC(CN)CCC1(C)C
InChIInChI=1S/C16H26N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyGAGAUMWVMSHVKO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds4

About [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine

[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine (PubChem CID 117021543) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
PubChem CID117021543
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
SMILESCCOc1ccccc1N1CC(CN)CCC1(C)C
InChIInChI=1S/C16H26N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyGAGAUMWVMSHVKO-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021196
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
1-(2-ethoxyphenyl)-2,2-dimethyl-1,5-diazocane
CID 117014837
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-ethoxyphenoxy)phenyl]methanone
CID 124611885
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine (CID 117021543) is [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine is CCOc1ccccc1N1CC(CN)CCC1(C)C.
What is the InChIKey of [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine?
The InChIKey is GAGAUMWVMSHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-12,17H2,1-3H3.
What are the key properties of [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine?
[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 117021543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).