1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine

C15H19NO — CID 178156806

IUPAC1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
SMILESC1=C(OC2CC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-2-4-13(5-3-1)12-16-10-8-15(9-11-16)17-14-6-7-14/h1-5,8,14H,6-7,9-12H2
InChIKeyOMCFFRPWGBPTBN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.96
Rot. Bonds4

About 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine

1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine (PubChem CID 178156806) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
PubChem CID178156806
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
SMILESC1=C(OC2CC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-2-4-13(5-3-1)12-16-10-8-15(9-11-16)17-14-6-7-14/h1-5,8,14H,6-7,9-12H2
InChIKeyOMCFFRPWGBPTBN-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-3-yloxy)-1-benzyl-3,6-dihydro-2H-pyridine
CID 146420453
1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
CID 159320689
[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
CID 139530799
1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
CID 70920175
1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine
CID 58393111
1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
CID 156719785
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
CID 126526003
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine (CID 178156806) is 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine is C1=C(OC2CC2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine?
The InChIKey is OMCFFRPWGBPTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-4-13(5-3-1)12-16-10-8-15(9-11-16)17-14-6-7-14/h1-5,8,14H,6-7,9-12H2.
What are the key properties of 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine?
1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine has a molecular weight of 229.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 178156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).