2-(piperidin-4-ylamino)acetic acid;dihydrochloride

C7H16Cl2N2O2 — CID 75415922

IUPAC2-(piperidin-4-ylamino)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CNC1CCNCC1
InChIInChI=1S/C7H14N2O2.2ClH/c10-7(11)5-9-6-1-3-8-4-2-6;;/h6,8-9H,1-5H2,(H,10,11);2*1H
InChIKeyXVDHUKNWXSRLGU-UHFFFAOYSA-N
MW231.12 g/mol
LogP0.26
Rot. Bonds3

About 2-(piperidin-4-ylamino)acetic acid;dihydrochloride

2-(piperidin-4-ylamino)acetic acid;dihydrochloride (PubChem CID 75415922) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)acetic acid;dihydrochloride
PubChem CID75415922
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Name2-(piperidin-4-ylamino)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CNC1CCNCC1
InChIInChI=1S/C7H14N2O2.2ClH/c10-7(11)5-9-6-1-3-8-4-2-6;;/h6,8-9H,1-5H2,(H,10,11);2*1H
InChIKeyXVDHUKNWXSRLGU-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The IUPAC name of 2-(piperidin-4-ylamino)acetic acid;dihydrochloride (CID 75415922) is 2-(piperidin-4-ylamino)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The canonical SMILES for 2-(piperidin-4-ylamino)acetic acid;dihydrochloride is Cl.Cl.O=C(O)CNC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The InChIKey is XVDHUKNWXSRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c10-7(11)5-9-6-1-3-8-4-2-6;;/h6,8-9H,1-5H2,(H,10,11);2*1H.
What are the key properties of 2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
2-(piperidin-4-ylamino)acetic acid;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)acetic acid;dihydrochloride is sourced from PubChem (CID 75415922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).