N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C18H30N2 — CID 106624469

IUPACN-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCN(Cc1c(C)cc(C)cc1C)CC1CCCNC1
InChIInChI=1S/C18H30N2/c1-5-20(12-17-7-6-8-19-11-17)13-18-15(3)9-14(2)10-16(18)4/h9-10,17,19H,5-8,11-13H2,1-4H3
InChIKeyOGIMPYYCLRSNEY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.43
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 106624469) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID106624469
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCN(Cc1c(C)cc(C)cc1C)CC1CCCNC1
InChIInChI=1S/C18H30N2/c1-5-20(12-17-7-6-8-19-11-17)13-18-15(3)9-14(2)10-16(18)4/h9-10,17,19H,5-8,11-13H2,1-4H3
InChIKeyOGIMPYYCLRSNEY-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624626
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638894
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 106624469) is N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is CCN(Cc1c(C)cc(C)cc1C)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is OGIMPYYCLRSNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(12-17-7-6-8-19-11-17)13-18-15(3)9-14(2)10-16(18)4/h9-10,17,19H,5-8,11-13H2,1-4H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106624469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).