N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride

C15H32Cl2N2O — CID 22279434

IUPACN-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride
SMILESC=CCN(C)CCCCCCOC1CCNCC1.Cl.Cl
InChIInChI=1S/C15H30N2O.2ClH/c1-3-12-17(2)13-6-4-5-7-14-18-15-8-10-16-11-9-15;;/h3,15-16H,1,4-14H2,2H3;2*1H
InChIKeyVQFALXGMHOEZNC-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.28
Rot. Bonds10

About N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride

N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride (PubChem CID 22279434) has the molecular formula C15H32Cl2N2O and a molecular weight of 327.34 g/mol. Its IUPAC name is N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride
PubChem CID22279434
Molecular FormulaC15H32Cl2N2O
Molecular Weight327.34 g/mol
Exact Mass326.19
IUPAC NameN-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride
SMILESC=CCN(C)CCCCCCOC1CCNCC1.Cl.Cl
InChIInChI=1S/C15H30N2O.2ClH/c1-3-12-17(2)13-6-4-5-7-14-18-15-8-10-16-11-9-15;;/h3,15-16H,1,4-14H2,2H3;2*1H
InChIKeyVQFALXGMHOEZNC-UHFFFAOYSA-N
XLogP3.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
CID 10178441
6-piperidin-4-yloxy-N,N-bis(prop-2-enyl)hexan-1-amine
CID 22279339
N-Methyl-6-[(piperidin-4-yl)oxy]-N-(prop-2-en-1-yl)hexan-1-amine
CID 22279367
3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propan-1-amine
CID 55251447
N-methyl-3-piperidin-4-yloxy-N-prop-2-enylpropan-1-amine
CID 81811344
N-ethyl-3-piperidin-4-yloxy-N-prop-2-enylpropan-1-amine
CID 81811530
3-piperidin-4-yloxy-N-prop-2-enyl-N-propylpropan-1-amine
CID 81811837
(E)-N-[2-(oxan-2-yl)ethyl]but-2-en-1-amine
CID 105997936

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride?
The IUPAC name of N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride (CID 22279434) is N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride.
What is the SMILES notation for N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride?
The canonical SMILES for N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride is C=CCN(C)CCCCCCOC1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride?
The InChIKey is VQFALXGMHOEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.2ClH/c1-3-12-17(2)13-6-4-5-7-14-18-15-8-10-16-11-9-15;;/h3,15-16H,1,4-14H2,2H3;2*1H.
What are the key properties of N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride?
N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride has a molecular weight of 327.34 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-piperidin-4-yloxy-N-prop-2-enylhexan-1-amine;dihydrochloride is sourced from PubChem (CID 22279434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).