N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C17H28N2 — CID 79715176

IUPACN-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)cc(C)c1)CC1CCNCC1
InChIInChI=1S/C17H28N2/c1-4-19(12-16-5-7-18-8-6-16)13-17-10-14(2)9-15(3)11-17/h9-11,16,18H,4-8,12-13H2,1-3H3
InChIKeyUUYUAMALBGNJDA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79715176) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79715176
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)cc(C)c1)CC1CCNCC1
InChIInChI=1S/C17H28N2/c1-4-19(12-16-5-7-18-8-6-16)13-17-10-14(2)9-15(3)11-17/h9-11,16,18H,4-8,12-13H2,1-3H3
InChIKeyUUYUAMALBGNJDA-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79715176) is N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1cc(C)cc(C)c1)CC1CCNCC1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is UUYUAMALBGNJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(12-16-5-7-18-8-6-16)13-17-10-14(2)9-15(3)11-17/h9-11,16,18H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79715176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).