N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine

C17H28N2 — CID 115210008

IUPACN-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCC2CCNCC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-10-15(3)17(11-14(13)2)6-9-19-12-16-4-7-18-8-5-16/h10-11,16,18-19H,4-9,12H2,1-3H3
InChIKeyWHSGOUVYZYUNKE-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.74
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine

N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 115210008) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
PubChem CID115210008
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCC2CCNCC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-10-15(3)17(11-14(13)2)6-9-19-12-16-4-7-18-8-5-16/h10-11,16,18-19H,4-9,12H2,1-3H3
InChIKeyWHSGOUVYZYUNKE-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
CID 115209940
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 115210021
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
N-(bromomethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115262236
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
N-[2-(2,4-dimethylphenyl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210856

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine (CID 115210008) is N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(CCNCC2CCNCC2)cc1C.
What is the InChIKey of N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is WHSGOUVYZYUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-10-15(3)17(11-14(13)2)6-9-19-12-16-4-7-18-8-5-16/h10-11,16,18-19H,4-9,12H2,1-3H3.
What are the key properties of N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine?
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 115210008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).