1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine

C17H28N2 — CID 115209940

IUPAC1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(C)c(CNCC2CCNCC2)c1C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)11-19-10-16-5-7-18-8-6-16/h9,16,18-19H,5-8,10-11H2,1-4H3
InChIKeyXWARSXROQXXAEJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.01
Rot. Bonds4

About 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine

1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine (PubChem CID 115209940) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
PubChem CID115209940
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(C)c(CNCC2CCNCC2)c1C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)11-19-10-16-5-7-18-8-6-16/h9,16,18-19H,5-8,10-11H2,1-4H3
InChIKeyXWARSXROQXXAEJ-UHFFFAOYSA-N
XLogP3.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-[(6-methylnaphthalen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 115209974
N-[(5-methylpyrazin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707499
2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208554
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620410
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine?
The IUPAC name of 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine (CID 115209940) is 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine?
The canonical SMILES for 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine is Cc1cc(C)c(C)c(CNCC2CCNCC2)c1C.
What is the InChIKey of 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine?
The InChIKey is XWARSXROQXXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)11-19-10-16-5-7-18-8-6-16/h9,16,18-19H,5-8,10-11H2,1-4H3.
What are the key properties of 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine?
1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine is sourced from PubChem (CID 115209940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).