N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 62297378

IUPACN-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(OCCN2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-19(10-3-1)11-12-20-16-6-4-5-15(18-16)13-17-14-7-8-14/h4-6,14,17H,1-3,7-13H2
InChIKeyUMISRNMBTJWOAE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds7

About N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62297378) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62297378
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(OCCN2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-19(10-3-1)11-12-20-16-6-4-5-15(18-16)13-17-14-7-8-14/h4-6,14,17H,1-3,7-13H2
InChIKeyUMISRNMBTJWOAE-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62297378) is N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)nc(OCCN2CCCCC2)c1.
What is the InChIKey of N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UMISRNMBTJWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-19(10-3-1)11-12-20-16-6-4-5-15(18-16)13-17-14-7-8-14/h4-6,14,17H,1-3,7-13H2.
What are the key properties of N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62297378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).