2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

C16H28N4 — CID 104822217

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(CN(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-13-4-5-15(11-18-13)16(10-17)20-8-6-14(7-9-20)12-19(2)3/h4-5,11,14,16H,6-10,12,17H2,1-3H3
InChIKeyFSVQBMIDBZZJID-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.66
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 104822217) 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]-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID104822217
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(CN(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-13-4-5-15(11-18-13)16(10-17)20-8-6-14(7-9-20)12-19(2)3/h4-5,11,14,16H,6-10,12,17H2,1-3H3
InChIKeyFSVQBMIDBZZJID-UHFFFAOYSA-N
XLogP1.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822203
2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822275
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 107454005
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62414478
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592477
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (CID 104822217) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(CN)N2CCC(CN(C)C)CC2)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is FSVQBMIDBZZJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-4-5-15(11-18-13)16(10-17)20-8-6-14(7-9-20)12-19(2)3/h4-5,11,14,16H,6-10,12,17H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 276.43 g/mol, XLogP of 1.66, 5 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]-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 104822217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).