N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C16H27N3 — CID 106905404

IUPACN-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCCC(C)C2C)n1
InChIInChI=1S/C16H27N3/c1-4-17-11-15-8-5-9-16(18-15)12-19-10-6-7-13(2)14(19)3/h5,8-9,13-14,17H,4,6-7,10-12H2,1-3H3
InChIKeyIKAJYNJYOMFDBP-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.81
Rot. Bonds5

About N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106905404) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106905404
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCCC(C)C2C)n1
InChIInChI=1S/C16H27N3/c1-4-17-11-15-8-5-9-16(18-15)12-19-10-6-7-13(2)14(19)3/h5,8-9,13-14,17H,4,6-7,10-12H2,1-3H3
InChIKeyIKAJYNJYOMFDBP-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
N-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62284708
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906791
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-methyl-1-[6-[(2,3,5-trimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907232
N-[[6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906836
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906886

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106905404) is N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCCC(C)C2C)n1.
What is the InChIKey of N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is IKAJYNJYOMFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-11-15-8-5-9-16(18-15)12-19-10-6-7-13(2)14(19)3/h5,8-9,13-14,17H,4,6-7,10-12H2,1-3H3.
What are the key properties of N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106905404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).