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Oxyphencyclimine

C20H28N2O3 — CID 4642

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESCN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
InChIKeyDUDKAZCAISNGQN-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds5

About Oxyphencyclimine

Oxyphencyclimine (PubChem CID 4642) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound NameOxyphencyclimine
PubChem CID4642
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESCN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
InChIKeyDUDKAZCAISNGQN-UHFFFAOYSA-N
XLogP2.73
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benactyzine
CID 9330
Oxyphenonium
CID 5749
Oxyphenonium Bromide
CID 5748
Ethanaminium, N,N-diethyl-2-((2-hydroxy-2,2-diphenylacetyl)oxy)-N-methyl-, bromide (1:1)
CID 18493
Lachesine Chloride
CID 14415
Oxyclipine
CID 118984357

Frequently Asked Questions

What is the IUPAC name of Oxyphencyclimine?
The IUPAC name of Oxyphencyclimine (CID 4642) is (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for Oxyphencyclimine?
The canonical SMILES for Oxyphencyclimine is CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of Oxyphencyclimine?
The InChIKey is DUDKAZCAISNGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3.
What are the key properties of Oxyphencyclimine?
Oxyphencyclimine has a molecular weight of 344.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Oxyphencyclimine is sourced from PubChem (CID 4642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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