1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

C16H26N2 — CID 114267620

IUPAC1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1ccccc1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H26N2/c1-4-13-7-5-6-8-14(13)11-18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyXXIDEYNPIHUASX-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.81
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 114267620) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID114267620
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1ccccc1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H26N2/c1-4-13-7-5-6-8-14(13)11-18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyXXIDEYNPIHUASX-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781919
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
3,3-dimethyl-1-[(2-methyl-4-nitrophenyl)methyl]piperidin-4-amine
CID 120781639
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-bromophenol
CID 120781772
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 114267620) is 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is CCc1ccccc1CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is XXIDEYNPIHUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13-7-5-6-8-14(13)11-18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114267620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).