N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H26ClN3O — CID 102967874

IUPACN-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCCN(c2cc(CNCC(C)C)c(Cl)cn2)C1
InChIInChI=1S/C16H26ClN3O/c1-12(2)8-18-9-13-7-16(19-10-15(13)17)20-6-4-5-14(11-20)21-3/h7,10,12,14,18H,4-6,8-9,11H2,1-3H3
InChIKeyOHWGLALVRWYHRV-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.10
Rot. Bonds6

About N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 102967874) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID102967874
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCCN(c2cc(CNCC(C)C)c(Cl)cn2)C1
InChIInChI=1S/C16H26ClN3O/c1-12(2)8-18-9-13-7-16(19-10-15(13)17)20-6-4-5-14(11-20)21-3/h7,10,12,14,18H,4-6,8-9,11H2,1-3H3
InChIKeyOHWGLALVRWYHRV-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 103539431
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
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]-2-methylpropan-1-amine
CID 114926217
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539400
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-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967701
1-[5-chloro-4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 114926695
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
N-[[5-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107379920

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 102967874) is N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is COC1CCCN(c2cc(CNCC(C)C)c(Cl)cn2)C1.
What is the InChIKey of N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OHWGLALVRWYHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-12(2)8-18-9-13-7-16(19-10-15(13)17)20-6-4-5-14(11-20)21-3/h7,10,12,14,18H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 311.86 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102967874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).