4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid

C8H17N3O2 — CID 174223439

IUPAC4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1(CN)CCN(C(=O)O)CC1
InChIInChI=1S/C8H17N3O2/c1-10-8(6-9)2-4-11(5-3-8)7(12)13/h10H,2-6,9H2,1H3,(H,12,13)
InChIKeyYNCIINYIHTWUCP-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.32
Rot. Bonds2

About 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid

4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid (PubChem CID 174223439) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid
PubChem CID174223439
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1(CN)CCN(C(=O)O)CC1
InChIInChI=1S/C8H17N3O2/c1-10-8(6-9)2-4-11(5-3-8)7(12)13/h10H,2-6,9H2,1H3,(H,12,13)
InChIKeyYNCIINYIHTWUCP-UHFFFAOYSA-N
XLogP-0.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid (CID 174223439) is 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid is CNC1(CN)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid?
The InChIKey is YNCIINYIHTWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-8(6-9)2-4-11(5-3-8)7(12)13/h10H,2-6,9H2,1H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid?
4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 174223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).