N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C17H28ClN3 — CID 114925386

IUPACN-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C17H28ClN3/c1-5-14-8-6-7-9-21(14)16-10-13(15(18)12-19-16)11-20-17(2,3)4/h10,12,14,20H,5-9,11H2,1-4H3
InChIKeyHRCWHWFRVVKMKJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.39
Rot. Bonds4

About N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114925386) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114925386
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC NameN-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C17H28ClN3/c1-5-14-8-6-7-9-21(14)16-10-13(15(18)12-19-16)11-20-17(2,3)4/h10,12,14,20H,5-9,11H2,1-4H3
InChIKeyHRCWHWFRVVKMKJ-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[5-(2-ethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378795
N-[[6-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66458374
N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471
N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83178519
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[4-(2-ethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81249915

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114925386) is N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CCC1CCCCN1c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HRCWHWFRVVKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-5-14-8-6-7-9-21(14)16-10-13(15(18)12-19-16)11-20-17(2,3)4/h10,12,14,20H,5-9,11H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114925386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).