N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

C17H28N2 — CID 106624697

IUPACN-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CC1CCCNC1)C(C)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-19(13-16-8-6-10-18-12-16)15(3)17-9-5-7-14(2)11-17/h5,7,9,11,15-16,18H,4,6,8,10,12-13H2,1-3H3
InChIKeyNZUSEHUZJYFOOQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624697) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624697
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CC1CCCNC1)C(C)c1cccc(C)c1
InChIInChI=1S/C17H28N2/c1-4-19(13-16-8-6-10-18-12-16)15(3)17-9-5-7-14(2)11-17/h5,7,9,11,15-16,18H,4,6,8,10,12-13H2,1-3H3
InChIKeyNZUSEHUZJYFOOQ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
CID 107397326
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride
CID 120852327
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106624693
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 106624697) is N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is CCN(CC1CCCNC1)C(C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is NZUSEHUZJYFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(13-16-8-6-10-18-12-16)15(3)17-9-5-7-14(2)11-17/h5,7,9,11,15-16,18H,4,6,8,10,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).