2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline

C17H29N3 — CID 80554129

IUPAC2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCNC1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)14-16-9-5-6-10-17(16)19-13-15-8-7-11-18-12-15/h5-6,9-10,15,18-19H,3-4,7-8,11-14H2,1-2H3
InChIKeyRETJURXEGLIKCP-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.94
Rot. Bonds7

About 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline

2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline (PubChem CID 80554129) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
PubChem CID80554129
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCNC1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)14-16-9-5-6-10-17(16)19-13-15-8-7-11-18-12-15/h5-6,9-10,15,18-19H,3-4,7-8,11-14H2,1-2H3
InChIKeyRETJURXEGLIKCP-UHFFFAOYSA-N
XLogP2.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline (CID 80554129) is 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline is CCN(CC)Cc1ccccc1NCC1CCCNC1.
What is the InChIKey of 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is RETJURXEGLIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20(4-2)14-16-9-5-6-10-17(16)19-13-15-8-7-11-18-12-15/h5-6,9-10,15,18-19H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline?
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 275.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 80554129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).