1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine

C12H21N3 — CID 70587655

IUPAC1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(N)C=CC=C(N)C1N1CCCCC1
InChIInChI=1S/C12H21N3/c1-12(14)7-5-6-10(13)11(12)15-8-3-2-4-9-15/h5-7,11H,2-4,8-9,13-14H2,1H3
InChIKeyCFTDICFVDWSOIB-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.97
Rot. Bonds1

About 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine

1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 70587655) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine
PubChem CID70587655
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(N)C=CC=C(N)C1N1CCCCC1
InChIInChI=1S/C12H21N3/c1-12(14)7-5-6-10(13)11(12)15-8-3-2-4-9-15/h5-7,11H,2-4,8-9,13-14H2,1H3
InChIKeyCFTDICFVDWSOIB-UHFFFAOYSA-N
XLogP0.97
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine (CID 70587655) is 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine is CC1(N)C=CC=C(N)C1N1CCCCC1.
What is the InChIKey of 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is CFTDICFVDWSOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(14)7-5-6-10(13)11(12)15-8-3-2-4-9-15/h5-7,11H,2-4,8-9,13-14H2,1H3.
What are the key properties of 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine?
1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 70587655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).