(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide

C11H19N3 — CID 165401782

IUPAC(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide
SMILESC=C[C@H]1CC[C@@H](/C(N)=N/C)CN1C=C
InChIInChI=1S/C11H19N3/c1-4-10-7-6-9(11(12)13-3)8-14(10)5-2/h4-5,9-10H,1-2,6-8H2,3H3,(H2,12,13)/t9-,10+/m1/s1
InChIKeyHHOFXOGDAPKCBY-ZJUUUORDSA-N
MW193.29 g/mol
LogP1.38
Rot. Bonds3

About (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide

(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide (PubChem CID 165401782) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide
PubChem CID165401782
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide
SMILESC=C[C@H]1CC[C@@H](/C(N)=N/C)CN1C=C
InChIInChI=1S/C11H19N3/c1-4-10-7-6-9(11(12)13-3)8-14(10)5-2/h4-5,9-10H,1-2,6-8H2,3H3,(H2,12,13)/t9-,10+/m1/s1
InChIKeyHHOFXOGDAPKCBY-ZJUUUORDSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine
CID 167485631
4-(Piperidin-1-ylmethyl)-3,4-dihydropyridin-2-amine
CID 91096741
4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine
CID 154490821
(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide;ethene
CID 165401781
1-but-1-en-2-yl-N'-methyl-N-[(Z)-prop-1-enyl]piperidine-3-carboximidamide
CID 153615632

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide?
The IUPAC name of (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide (CID 165401782) is (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide.
What is the SMILES notation for (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide?
The canonical SMILES for (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide is C=C[C@H]1CC[C@@H](/C(N)=N/C)CN1C=C.
What is the InChIKey of (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide?
The InChIKey is HHOFXOGDAPKCBY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-10-7-6-9(11(12)13-3)8-14(10)5-2/h4-5,9-10H,1-2,6-8H2,3H3,(H2,12,13)/t9-,10+/m1/s1.
What are the key properties of (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide?
(3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide has a molecular weight of 193.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1,6-bis(ethenyl)-N'-methylpiperidine-3-carboximidamide is sourced from PubChem (CID 165401782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).