N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine

C15H26N4 — CID 62559867

IUPACN,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
SMILESCN(C)C1CCN(CCNCc2cccnc2)CC1
InChIInChI=1S/C15H26N4/c1-18(2)15-5-9-19(10-6-15)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3
InChIKeyGVDZWSBVFFZHJE-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.20
Rot. Bonds6

About N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine

N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine (PubChem CID 62559867) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
PubChem CID62559867
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
SMILESCN(C)C1CCN(CCNCc2cccnc2)CC1
InChIInChI=1S/C15H26N4/c1-18(2)15-5-9-19(10-6-15)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3
InChIKeyGVDZWSBVFFZHJE-UHFFFAOYSA-N
XLogP1.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.20
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

N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 102968328
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 66382265
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 64580821
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 79920744
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine (CID 62559867) is N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine is CN(C)C1CCN(CCNCc2cccnc2)CC1.
What is the InChIKey of N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine?
The InChIKey is GVDZWSBVFFZHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18(2)15-5-9-19(10-6-15)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine?
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine is sourced from PubChem (CID 62559867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).