N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 102967702

IUPACN-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCOC1CN(c2cnccc2CNC(C)C)CCC1C
InChIInChI=1S/C16H27N3O/c1-12(2)18-9-14-5-7-17-10-15(14)19-8-6-13(3)16(11-19)20-4/h5,7,10,12-13,16,18H,6,8-9,11H2,1-4H3
InChIKeyZKOABBCKJUHGPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds5

About N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 102967702) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID102967702
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCOC1CN(c2cnccc2CNC(C)C)CCC1C
InChIInChI=1S/C16H27N3O/c1-12(2)18-9-14-5-7-17-10-15(14)19-8-6-13(3)16(11-19)20-4/h5,7,10,12-13,16,18H,6,8-9,11H2,1-4H3
InChIKeyZKOABBCKJUHGPT-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 106589227
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603
N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 105074101
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967701
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105072808
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
CID 102958422
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 102967702) is N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is COC1CN(c2cnccc2CNC(C)C)CCC1C.
What is the InChIKey of N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZKOABBCKJUHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)18-9-14-5-7-17-10-15(14)19-8-6-13(3)16(11-19)20-4/h5,7,10,12-13,16,18H,6,8-9,11H2,1-4H3.
What are the key properties of N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 102967702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).