(3R)-piperidin-1-ium-3-carboxylic acid chloride

C6H12ClNO2 — CID 139067534

IUPAC(3R)-piperidin-1-ium-3-carboxylic acid chloride
SMILESO=C(O)[C@@H]1CCC[NH2+]C1.[Cl-]
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1
InChIKeyLRZWUDOLANRDSF-NUBCRITNSA-N
MW165.62 g/mol
LogP-3.95
Rot. Bonds1

About (3R)-piperidin-1-ium-3-carboxylic acid chloride

(3R)-piperidin-1-ium-3-carboxylic acid chloride (PubChem CID 139067534) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is (3R)-piperidin-1-ium-3-carboxylic acid chloride.

Molecular Properties

Compound Name(3R)-piperidin-1-ium-3-carboxylic acid chloride
PubChem CID139067534
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name(3R)-piperidin-1-ium-3-carboxylic acid chloride
SMILESO=C(O)[C@@H]1CCC[NH2+]C1.[Cl-]
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1
InChIKeyLRZWUDOLANRDSF-NUBCRITNSA-N
XLogP-3.95
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-3.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-piperidin-1-ium-3-carboxylic acid chloride?
The IUPAC name of (3R)-piperidin-1-ium-3-carboxylic acid chloride (CID 139067534) is (3R)-piperidin-1-ium-3-carboxylic acid chloride.
What is the SMILES notation for (3R)-piperidin-1-ium-3-carboxylic acid chloride?
The canonical SMILES for (3R)-piperidin-1-ium-3-carboxylic acid chloride is O=C(O)[C@@H]1CCC[NH2+]C1.[Cl-].
What is the InChIKey of (3R)-piperidin-1-ium-3-carboxylic acid chloride?
The InChIKey is LRZWUDOLANRDSF-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1.
What are the key properties of (3R)-piperidin-1-ium-3-carboxylic acid chloride?
(3R)-piperidin-1-ium-3-carboxylic acid chloride has a molecular weight of 165.62 g/mol, XLogP of -3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-piperidin-1-ium-3-carboxylic acid chloride is sourced from PubChem (CID 139067534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).