1-Methyl-phenyl-tetrahydropyridin

C12H17N — CID 129628619

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyridine
SMILESCC1(CC=CC=C1)N2CCCC=C2
InChIInChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8,10H,3,7,9,11H2,1H3
InChIKeyHHGCIOYCTMSSMF-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.00
Rot. Bonds1

About 1-Methyl-phenyl-tetrahydropyridin

1-Methyl-phenyl-tetrahydropyridin (PubChem CID 129628619) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-Methyl-phenyl-tetrahydropyridin
PubChem CID129628619
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyridine
SMILESCC1(CC=CC=C1)N2CCCC=C2
InChIInChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8,10H,3,7,9,11H2,1H3
InChIKeyHHGCIOYCTMSSMF-UHFFFAOYSA-N
XLogP3.00
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity262

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-Methyl-phenyl-tetrahydropyridin?
The IUPAC name of 1-Methyl-phenyl-tetrahydropyridin (CID 129628619) is 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-Methyl-phenyl-tetrahydropyridin?
The canonical SMILES for 1-Methyl-phenyl-tetrahydropyridin is CC1(CC=CC=C1)N2CCCC=C2.
What is the InChIKey of 1-Methyl-phenyl-tetrahydropyridin?
The InChIKey is HHGCIOYCTMSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8,10H,3,7,9,11H2,1H3.
What are the key properties of 1-Methyl-phenyl-tetrahydropyridin?
1-Methyl-phenyl-tetrahydropyridin has a molecular weight of 175.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-phenyl-tetrahydropyridin is sourced from PubChem (CID 129628619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).