[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine

C16H26N2 — CID 117020618

IUPAC[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
SMILESCc1ccc(C)c(N2CCC(CN)CC2(C)C)c1
InChIInChI=1S/C16H26N2/c1-12-5-6-13(2)15(9-12)18-8-7-14(11-17)10-16(18,3)4/h5-6,9,14H,7-8,10-11,17H2,1-4H3
InChIKeySMZXBYPPDOZEAU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds2

About [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine

[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine (PubChem CID 117020618) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
PubChem CID117020618
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
SMILESCc1ccc(C)c(N2CCC(CN)CC2(C)C)c1
InChIInChI=1S/C16H26N2/c1-12-5-6-13(2)15(9-12)18-8-7-14(11-17)10-16(18,3)4/h5-6,9,14H,7-8,10-11,17H2,1-4H3
InChIKeySMZXBYPPDOZEAU-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020560
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
2-[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020501
[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine
CID 117020606
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611762
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611763

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine (CID 117020618) is [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine is Cc1ccc(C)c(N2CCC(CN)CC2(C)C)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine?
The InChIKey is SMZXBYPPDOZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-6-13(2)15(9-12)18-8-7-14(11-17)10-16(18,3)4/h5-6,9,14H,7-8,10-11,17H2,1-4H3.
What are the key properties of [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine?
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 117020618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).