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

C17H28ClN3 — CID 114926217

IUPACN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2cc(CNCC(C)C)c(Cl)cn2)CC1
InChIInChI=1S/C17H28ClN3/c1-4-14-5-7-21(8-6-14)17-9-15(16(18)12-20-17)11-19-10-13(2)3/h9,12-14,19H,4-8,10-11H2,1-3H3
InChIKeyZDXSCFLIVYWKNZ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.11
Rot. Bonds6

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

N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114926217) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114926217
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2cc(CNCC(C)C)c(Cl)cn2)CC1
InChIInChI=1S/C17H28ClN3/c1-4-14-5-7-21(8-6-14)17-9-15(16(18)12-20-17)11-19-10-13(2)3/h9,12-14,19H,4-8,10-11H2,1-3H3
InChIKeyZDXSCFLIVYWKNZ-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
N-[[5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927246
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114926217) is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CCC1CCN(c2cc(CNCC(C)C)c(Cl)cn2)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZDXSCFLIVYWKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-14-5-7-21(8-6-14)17-9-15(16(18)12-20-17)11-19-10-13(2)3/h9,12-14,19H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114926217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).