(1-pyridin-3-ylpiperidin-4-yl) hypochlorite

C10H13ClN2O — CID 174467060

IUPAC(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
SMILESClOC1CCN(c2cccnc2)CC1
InChIInChI=1S/C10H13ClN2O/c11-14-10-3-6-13(7-4-10)9-2-1-5-12-8-9/h1-2,5,8,10H,3-4,6-7H2
InChIKeyCWMDHBSDKZGPTP-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.22
Rot. Bonds2

About (1-pyridin-3-ylpiperidin-4-yl) hypochlorite

(1-pyridin-3-ylpiperidin-4-yl) hypochlorite (PubChem CID 174467060) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (1-pyridin-3-ylpiperidin-4-yl) hypochlorite.

Molecular Properties

Compound Name(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
PubChem CID174467060
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
SMILESClOC1CCN(c2cccnc2)CC1
InChIInChI=1S/C10H13ClN2O/c11-14-10-3-6-13(7-4-10)9-2-1-5-12-8-9/h1-2,5,8,10H,3-4,6-7H2
InChIKeyCWMDHBSDKZGPTP-UHFFFAOYSA-N
XLogP2.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylpiperidin-4-yl) hypochlorite?
The IUPAC name of (1-pyridin-3-ylpiperidin-4-yl) hypochlorite (CID 174467060) is (1-pyridin-3-ylpiperidin-4-yl) hypochlorite.
What is the SMILES notation for (1-pyridin-3-ylpiperidin-4-yl) hypochlorite?
The canonical SMILES for (1-pyridin-3-ylpiperidin-4-yl) hypochlorite is ClOC1CCN(c2cccnc2)CC1.
What is the InChIKey of (1-pyridin-3-ylpiperidin-4-yl) hypochlorite?
The InChIKey is CWMDHBSDKZGPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-14-10-3-6-13(7-4-10)9-2-1-5-12-8-9/h1-2,5,8,10H,3-4,6-7H2.
What are the key properties of (1-pyridin-3-ylpiperidin-4-yl) hypochlorite?
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite has a molecular weight of 212.68 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylpiperidin-4-yl) hypochlorite is sourced from PubChem (CID 174467060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).