1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride

C11H24Cl2N2 — CID 18922130

IUPAC1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride
SMILESCC(C)C/C=C/N1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C11H22N2.2ClH/c1-10(2)4-3-7-13-8-5-11(12)6-9-13;;/h3,7,10-11H,4-6,8-9,12H2,1-2H3;2*1H/b7-3+;;
InChIKeyDCVYCTCOWUXCBH-BABLKGGBSA-N
MW255.23 g/mol
LogP2.81
Rot. Bonds3

About 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride

1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride (PubChem CID 18922130) has the molecular formula C11H24Cl2N2 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride
PubChem CID18922130
Molecular FormulaC11H24Cl2N2
Molecular Weight255.23 g/mol
Exact Mass254.13
IUPAC Name1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride
SMILESCC(C)C/C=C/N1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C11H22N2.2ClH/c1-10(2)4-3-7-13-8-5-11(12)6-9-13;;/h3,7,10-11H,4-6,8-9,12H2,1-2H3;2*1H/b7-3+;;
InChIKeyDCVYCTCOWUXCBH-BABLKGGBSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride (CID 18922130) is 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride is CC(C)C/C=C/N1CCC(N)CC1.Cl.Cl.
What is the InChIKey of 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride?
The InChIKey is DCVYCTCOWUXCBH-BABLKGGBSA-N. The full InChI is InChI=1S/C11H22N2.2ClH/c1-10(2)4-3-7-13-8-5-11(12)6-9-13;;/h3,7,10-11H,4-6,8-9,12H2,1-2H3;2*1H/b7-3+;;.
What are the key properties of 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride?
1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride has a molecular weight of 255.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methylpent-1-enyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 18922130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).