N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine

C18H31N3 — CID 81048888

IUPACN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCCN(CCC(C)C1CCCNC1)Cc1cccc(C)n1
InChIInChI=1S/C18H31N3/c1-4-21(14-18-9-5-7-16(3)20-18)12-10-15(2)17-8-6-11-19-13-17/h5,7,9,15,17,19H,4,6,8,10-14H2,1-3H3
InChIKeyARTCJAAWAMGWGM-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine

N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine (PubChem CID 81048888) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
PubChem CID81048888
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCCN(CCC(C)C1CCCNC1)Cc1cccc(C)n1
InChIInChI=1S/C18H31N3/c1-4-21(14-18-9-5-7-16(3)20-18)12-10-15(2)17-8-6-11-19-13-17/h5,7,9,15,17,19H,4,6,8,10-14H2,1-3H3
InChIKeyARTCJAAWAMGWGM-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 79261213
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62307379
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine (CID 81048888) is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine is CCN(CCC(C)C1CCCNC1)Cc1cccc(C)n1.
What is the InChIKey of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine?
The InChIKey is ARTCJAAWAMGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21(14-18-9-5-7-16(3)20-18)12-10-15(2)17-8-6-11-19-13-17/h5,7,9,15,17,19H,4,6,8,10-14H2,1-3H3.
What are the key properties of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine?
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81048888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).