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

C16H26N2 — CID 120781919

IUPAC1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCc1cccc(CN2CCC(N)C(C)(C)C2)c1C
InChIInChI=1S/C16H26N2/c1-12-6-5-7-14(13(12)2)10-18-9-8-15(17)16(3,4)11-18/h5-7,15H,8-11,17H2,1-4H3
InChIKeyFGWWQTGMBMYWOQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.86
Rot. Bonds2

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

1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781919) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120781919
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCc1cccc(CN2CCC(N)C(C)(C)C2)c1C
InChIInChI=1S/C16H26N2/c1-12-6-5-7-14(13(12)2)10-18-9-8-15(17)16(3,4)11-18/h5-7,15H,8-11,17H2,1-4H3
InChIKeyFGWWQTGMBMYWOQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
3,3-dimethyl-1-[(2-methyl-4-nitrophenyl)methyl]piperidin-4-amine
CID 120781639
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
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-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781919) is 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is Cc1cccc(CN2CCC(N)C(C)(C)C2)c1C.
What is the InChIKey of 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is FGWWQTGMBMYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-5-7-14(13(12)2)10-18-9-8-15(17)16(3,4)11-18/h5-7,15H,8-11,17H2,1-4H3.
What are the key properties of 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).