2-methylidenepiperidine;dihydrochloride

C6H13Cl2N — CID 174913037

IUPAC2-methylidenepiperidine;dihydrochloride
SMILESC=C1CCCCN1.Cl.Cl
InChIInChI=1S/C6H11N.2ClH/c1-6-4-2-3-5-7-6;;/h7H,1-5H2;2*1H
InChIKeyMPLCGQKCBRKHRP-UHFFFAOYSA-N
MW170.08 g/mol
LogP2.12
Rot. Bonds

About 2-methylidenepiperidine;dihydrochloride

2-methylidenepiperidine;dihydrochloride (PubChem CID 174913037) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is 2-methylidenepiperidine;dihydrochloride.

Molecular Properties

Compound Name2-methylidenepiperidine;dihydrochloride
PubChem CID174913037
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC Name2-methylidenepiperidine;dihydrochloride
SMILESC=C1CCCCN1.Cl.Cl
InChIInChI=1S/C6H11N.2ClH/c1-6-4-2-3-5-7-6;;/h7H,1-5H2;2*1H
InChIKeyMPLCGQKCBRKHRP-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepiperidine;dihydrochloride?
The IUPAC name of 2-methylidenepiperidine;dihydrochloride (CID 174913037) is 2-methylidenepiperidine;dihydrochloride.
What is the SMILES notation for 2-methylidenepiperidine;dihydrochloride?
The canonical SMILES for 2-methylidenepiperidine;dihydrochloride is C=C1CCCCN1.Cl.Cl.
What is the InChIKey of 2-methylidenepiperidine;dihydrochloride?
The InChIKey is MPLCGQKCBRKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.2ClH/c1-6-4-2-3-5-7-6;;/h7H,1-5H2;2*1H.
What are the key properties of 2-methylidenepiperidine;dihydrochloride?
2-methylidenepiperidine;dihydrochloride has a molecular weight of 170.08 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepiperidine;dihydrochloride is sourced from PubChem (CID 174913037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).