(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate

C11H19ClN2O2 — CID 22117404

IUPAC(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
SMILESO=C(Cl)ON1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H19ClN2O2/c12-11(15)16-14-8-4-10(5-9-14)13-6-2-1-3-7-13/h10H,1-9H2
InChIKeyLIRKSBQNUAUBBH-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.23
Rot. Bonds2

About (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate

(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate (PubChem CID 22117404) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
PubChem CID22117404
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
SMILESO=C(Cl)ON1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H19ClN2O2/c12-11(15)16-14-8-4-10(5-9-14)13-6-2-1-3-7-13/h10H,1-9H2
InChIKeyLIRKSBQNUAUBBH-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
CID 22727518
chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)oxyphosphinic acid;hydrochloride
CID 175068649
1-cyclopropylpiperidine
CID 10909573
(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
CID 91217548
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate (CID 22117404) is (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate is O=C(Cl)ON1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate?
The InChIKey is LIRKSBQNUAUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c12-11(15)16-14-8-4-10(5-9-14)13-6-2-1-3-7-13/h10H,1-9H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate?
(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate has a molecular weight of 246.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl) carbonochloridate is sourced from PubChem (CID 22117404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).