N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 106589213

IUPACN-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
SMILESCOCC1CCCN(c2cc(CNC3CC3)ccn2)C1
InChIInChI=1S/C16H25N3O/c1-20-12-14-3-2-8-19(11-14)16-9-13(6-7-17-16)10-18-15-4-5-15/h6-7,9,14-15,18H,2-5,8,10-12H2,1H3
InChIKeyUVTNNGFIJMCSAX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds6

About N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine

N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 106589213) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
PubChem CID106589213
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
SMILESCOCC1CCCN(c2cc(CNC3CC3)ccn2)C1
InChIInChI=1S/C16H25N3O/c1-20-12-14-3-2-8-19(11-14)16-9-13(6-7-17-16)10-18-15-4-5-15/h6-7,9,14-15,18H,2-5,8,10-12H2,1H3
InChIKeyUVTNNGFIJMCSAX-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine (CID 106589213) is N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine is COCC1CCCN(c2cc(CNC3CC3)ccn2)C1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UVTNNGFIJMCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-12-14-3-2-8-19(11-14)16-9-13(6-7-17-16)10-18-15-4-5-15/h6-7,9,14-15,18H,2-5,8,10-12H2,1H3.
What are the key properties of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106589213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).