N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine

C16H26ClN3O — CID 114928249

IUPACN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCCN2CCCCC2)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-13(2)18-11-14-10-16(19-12-15(14)17)21-9-8-20-6-4-3-5-7-20/h10,12-13,18H,3-9,11H2,1-2H3
InChIKeyGXVUPGCUJBLMNY-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.10
Rot. Bonds7

About N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928249) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928249
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCCN2CCCCC2)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-13(2)18-11-14-10-16(19-12-15(14)17)21-9-8-20-6-4-3-5-7-20/h10,12-13,18H,3-9,11H2,1-2H3
InChIKeyGXVUPGCUJBLMNY-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
CID 114928248
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83188313
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297186

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine (CID 114928249) is N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(OCCN2CCCCC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is GXVUPGCUJBLMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-13(2)18-11-14-10-16(19-12-15(14)17)21-9-8-20-6-4-3-5-7-20/h10,12-13,18H,3-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).