N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

C17H27N3O — CID 107395527

IUPACN-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(Cc2cccc(CNC3CC3)n2)C1
InChIInChI=1S/C17H27N3O/c1-17(21-2)9-4-10-20(13-17)12-16-6-3-5-15(19-16)11-18-14-7-8-14/h3,5-6,14,18H,4,7-13H2,1-2H3
InChIKeyXAFCQUGAMRGECU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.33
Rot. Bonds6

About N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 107395527) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID107395527
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(Cc2cccc(CNC3CC3)n2)C1
InChIInChI=1S/C17H27N3O/c1-17(21-2)9-4-10-20(13-17)12-16-6-3-5-15(19-16)11-18-14-7-8-14/h3,5-6,14,18H,4,7-13H2,1-2H3
InChIKeyXAFCQUGAMRGECU-UHFFFAOYSA-N
XLogP2.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 107395824
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107395572
N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906584
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107395568
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906886
N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297378
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 107395527) is N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is COC1(C)CCCN(Cc2cccc(CNC3CC3)n2)C1.
What is the InChIKey of N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XAFCQUGAMRGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(21-2)9-4-10-20(13-17)12-16-6-3-5-15(19-16)11-18-14-7-8-14/h3,5-6,14,18H,4,7-13H2,1-2H3.
What are the key properties of N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107395527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).