1-piperidin-4-ylpiperidine chloride

C10H20ClN2- — CID 3083875

IUPAC1-piperidin-4-ylpiperidine chloride
SMILESC1CCN(C2CCNCC2)CC1.[Cl-]
InChIInChI=1S/C10H20N2.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;/h10-11H,1-9H2;1H/p-1
InChIKeyPCQUGYRNPPGYRK-UHFFFAOYSA-M
MW203.74 g/mol
LogP-1.77
Rot. Bonds1

About 1-piperidin-4-ylpiperidine chloride

1-piperidin-4-ylpiperidine chloride (PubChem CID 3083875) has the molecular formula C10H20ClN2- and a molecular weight of 203.74 g/mol. Its IUPAC name is 1-piperidin-4-ylpiperidine chloride.

Molecular Properties

Compound Name1-piperidin-4-ylpiperidine chloride
PubChem CID3083875
Molecular FormulaC10H20ClN2-
Molecular Weight203.74 g/mol
Exact Mass203.13
IUPAC Name1-piperidin-4-ylpiperidine chloride
SMILESC1CCN(C2CCNCC2)CC1.[Cl-]
InChIInChI=1S/C10H20N2.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;/h10-11H,1-9H2;1H/p-1
InChIKeyPCQUGYRNPPGYRK-UHFFFAOYSA-M
XLogP-1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpiperidine chloride?
The IUPAC name of 1-piperidin-4-ylpiperidine chloride (CID 3083875) is 1-piperidin-4-ylpiperidine chloride.
What is the SMILES notation for 1-piperidin-4-ylpiperidine chloride?
The canonical SMILES for 1-piperidin-4-ylpiperidine chloride is C1CCN(C2CCNCC2)CC1.[Cl-].
What is the InChIKey of 1-piperidin-4-ylpiperidine chloride?
The InChIKey is PCQUGYRNPPGYRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N2.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;/h10-11H,1-9H2;1H/p-1.
What are the key properties of 1-piperidin-4-ylpiperidine chloride?
1-piperidin-4-ylpiperidine chloride has a molecular weight of 203.74 g/mol, XLogP of -1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpiperidine chloride is sourced from PubChem (CID 3083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).