1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen

C18H40N2 — CID 143935757

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen
SMILESCC.CC.CC1CCN(CC2=CCCC=C2)CC1.CN.[H][H]
InChIInChI=1S/C13H21N.2C2H6.CH5N.H2/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;3*1-2;/h3,5-6,12H,2,4,7-11H2,1H3;2*1-2H3;2H2,1H3;1H
InChIKeyVUKJYVQSZMCHDC-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.87
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen (PubChem CID 143935757) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen
PubChem CID143935757
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen
SMILESCC.CC.CC1CCN(CC2=CCCC=C2)CC1.CN.[H][H]
InChIInChI=1S/C13H21N.2C2H6.CH5N.H2/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;3*1-2;/h3,5-6,12H,2,4,7-11H2,1H3;2*1-2H3;2H2,1H3;1H
InChIKeyVUKJYVQSZMCHDC-UHFFFAOYSA-N
XLogP4.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen (CID 143935757) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen is CC.CC.CC1CCN(CC2=CCCC=C2)CC1.CN.[H][H].
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen?
The InChIKey is VUKJYVQSZMCHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.2C2H6.CH5N.H2/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;3*1-2;/h3,5-6,12H,2,4,7-11H2,1H3;2*1-2H3;2H2,1H3;1H.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen has a molecular weight of 284.53 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperidine;ethane;methanamine;molecular hydrogen is sourced from PubChem (CID 143935757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).