1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid

C13H24N2O2 — CID 115000518

IUPAC1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCCC1CNC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O2/c1-15-9-5-2-6-11(15)10-14-13(12(16)17)7-3-4-8-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyXRTLVYRHSQVHPS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.46
Rot. Bonds4

About 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid

1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 115000518) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID115000518
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCCC1CNC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O2/c1-15-9-5-2-6-11(15)10-14-13(12(16)17)7-3-4-8-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyXRTLVYRHSQVHPS-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2,2-dimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]propanoic acid
CID 113308220
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026215
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid (CID 115000518) is 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid is CN1CCCCC1CNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XRTLVYRHSQVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-9-5-2-6-11(15)10-14-13(12(16)17)7-3-4-8-13/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid?
1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).