1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine

C15H24N2 — CID 43130891

IUPAC1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C)c(C(C)N2CCC(N)CC2)c1
InChIInChI=1S/C15H24N2/c1-11-4-5-12(2)15(10-11)13(3)17-8-6-14(16)7-9-17/h4-5,10,13-14H,6-9,16H2,1-3H3
InChIKeyLGVKMCURYHPABF-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.79
Rot. Bonds2

About 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine

1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine (PubChem CID 43130891) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
PubChem CID43130891
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C)c(C(C)N2CCC(N)CC2)c1
InChIInChI=1S/C15H24N2/c1-11-4-5-12(2)15(10-11)13(3)17-8-6-14(16)7-9-17/h4-5,10,13-14H,6-9,16H2,1-3H3
InChIKeyLGVKMCURYHPABF-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
CID 113284244
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311
2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
CID 43130831
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
1-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]piperazine
CID 66201448
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
CID 115306890
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine (CID 43130891) is 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine is Cc1ccc(C)c(C(C)N2CCC(N)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is LGVKMCURYHPABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-4-5-12(2)15(10-11)13(3)17-8-6-14(16)7-9-17/h4-5,10,13-14H,6-9,16H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.79, 2 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)ethyl]piperidin-4-amine is sourced from PubChem (CID 43130891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).