1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine

C16H26N2 — CID 63254150

IUPAC1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)c(C)c1
InChIInChI=1S/C16H26N2/c1-12-7-8-15(13(2)10-12)11-18-9-5-4-6-16(18)14(3)17/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyJXDGKFSAIPAFSE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63254150) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID63254150
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)c(C)c1
InChIInChI=1S/C16H26N2/c1-12-7-8-15(13(2)10-12)11-18-9-5-4-6-16(18)14(3)17/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyJXDGKFSAIPAFSE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine (CID 63254150) is 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine is Cc1ccc(CN2CCCCC2C(C)N)c(C)c1.
What is the InChIKey of 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is JXDGKFSAIPAFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-15(13(2)10-12)11-18-9-5-4-6-16(18)14(3)17/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3.
What are the key properties of 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).