3-methylpiperidin-4-amine;dihydrochloride

C6H16Cl2N2 — CID 155921065

IUPAC3-methylpiperidin-4-amine;dihydrochloride
SMILESCC1CNCCC1N.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-5-4-8-3-2-6(5)7;;/h5-6,8H,2-4,7H2,1H3;2*1H
InChIKeyNCPAGVOFPRNSJH-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.79
Rot. Bonds

About 3-methylpiperidin-4-amine;dihydrochloride

3-methylpiperidin-4-amine;dihydrochloride (PubChem CID 155921065) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 3-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-methylpiperidin-4-amine;dihydrochloride
PubChem CID155921065
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name3-methylpiperidin-4-amine;dihydrochloride
SMILESCC1CNCCC1N.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-5-4-8-3-2-6(5)7;;/h5-6,8H,2-4,7H2,1H3;2*1H
InChIKeyNCPAGVOFPRNSJH-UHFFFAOYSA-N
XLogP0.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 3-methylpiperidin-4-amine;dihydrochloride (CID 155921065) is 3-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 3-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 3-methylpiperidin-4-amine;dihydrochloride is CC1CNCCC1N.Cl.Cl.
What is the InChIKey of 3-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is NCPAGVOFPRNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-5-4-8-3-2-6(5)7;;/h5-6,8H,2-4,7H2,1H3;2*1H.
What are the key properties of 3-methylpiperidin-4-amine;dihydrochloride?
3-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 155921065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).