1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride

C16H27ClN2 — CID 119911372

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCc1ccc(C)c(CN2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-12-7-8-13(2)15(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;1H
InChIKeyDRKMTGBSWORKPO-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.43
Rot. Bonds3

About 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119911372) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119911372
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCc1ccc(C)c(CN2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-12-7-8-13(2)15(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;1H
InChIKeyDRKMTGBSWORKPO-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
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
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911451
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119911372) is 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride is Cc1ccc(C)c(CN2CCCCC2C(C)N)c1.Cl.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is DRKMTGBSWORKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-12-7-8-13(2)15(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;1H.
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119911372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).