4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine

C12H21N3 — CID 67191282

IUPAC4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine
SMILESCC1(NC2CCNCC2)C=CC(N)=CC1
InChIInChI=1S/C12H21N3/c1-12(6-2-10(13)3-7-12)15-11-4-8-14-9-5-11/h2-3,6,11,14-15H,4-5,7-9,13H2,1H3
InChIKeyRSMCGZURFAVDSY-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.89
Rot. Bonds2

About 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine

4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 67191282) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine
PubChem CID67191282
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine
SMILESCC1(NC2CCNCC2)C=CC(N)=CC1
InChIInChI=1S/C12H21N3/c1-12(6-2-10(13)3-7-12)15-11-4-8-14-9-5-11/h2-3,6,11,14-15H,4-5,7-9,13H2,1H3
InChIKeyRSMCGZURFAVDSY-UHFFFAOYSA-N
XLogP0.89
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine (CID 67191282) is 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine is CC1(NC2CCNCC2)C=CC(N)=CC1.
What is the InChIKey of 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is RSMCGZURFAVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(6-2-10(13)3-7-12)15-11-4-8-14-9-5-11/h2-3,6,11,14-15H,4-5,7-9,13H2,1H3.
What are the key properties of 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine?
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 67191282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).