2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile

C13H23N3O — CID 112622488

IUPAC2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCOC1CCN(CC2(CC#N)CC2)C(CN)C1
InChIInChI=1S/C13H23N3O/c1-17-12-2-7-16(11(8-12)9-15)10-13(3-4-13)5-6-14/h11-12H,2-5,7-10,15H2,1H3
InChIKeyRSCKQJTWGMWDPG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 112622488) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID112622488
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCOC1CCN(CC2(CC#N)CC2)C(CN)C1
InChIInChI=1S/C13H23N3O/c1-17-12-2-7-16(11(8-12)9-15)10-13(3-4-13)5-6-14/h11-12H,2-5,7-10,15H2,1H3
InChIKeyRSCKQJTWGMWDPG-UHFFFAOYSA-N
XLogP1.12
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile (CID 112622488) is 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile is COC1CCN(CC2(CC#N)CC2)C(CN)C1.
What is the InChIKey of 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is RSCKQJTWGMWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-12-2-7-16(11(8-12)9-15)10-13(3-4-13)5-6-14/h11-12H,2-5,7-10,15H2,1H3.
What are the key properties of 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 237.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 112622488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).