1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid

C13H24N2O2 — CID 86602119

IUPAC1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESNCC1CCN(CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-9-11-3-7-15(8-4-11)10-13(12(16)17)5-1-2-6-13/h11H,1-10,14H2,(H,16,17)
InChIKeyRKAUNJDGKWAOJT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.30
Rot. Bonds4

About 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid

1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 86602119) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID86602119
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESNCC1CCN(CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-9-11-3-7-15(8-4-11)10-13(12(16)17)5-1-2-6-13/h11H,1-10,14H2,(H,16,17)
InChIKeyRKAUNJDGKWAOJT-UHFFFAOYSA-N
XLogP1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid (CID 86602119) is 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid is NCC1CCN(CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RKAUNJDGKWAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-9-11-3-7-15(8-4-11)10-13(12(16)17)5-1-2-6-13/h11H,1-10,14H2,(H,16,17).
What are the key properties of 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86602119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).