2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine

C16H28N4 — CID 62554392

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(C)CC1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-19(2)14-15-6-10-20(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,15,17H,6-7,9-14H2,1-2H3
InChIKeyPKXKYOGNDJLYSH-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.44
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62554392) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62554392
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(C)CC1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-19(2)14-15-6-10-20(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,15,17H,6-7,9-14H2,1-2H3
InChIKeyPKXKYOGNDJLYSH-UHFFFAOYSA-N
XLogP1.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63274981
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62554063
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62553735
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557048
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine (CID 62554392) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine is CN(C)CC1CCN(CCNCc2ccccn2)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is PKXKYOGNDJLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-19(2)14-15-6-10-20(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,15,17H,6-7,9-14H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 276.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62554392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).