4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine

C19H29N3O — CID 141171805

IUPAC4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine
SMILESc1ccc([C@@H]2CN(C3CCOCC3)CN2C2CCNCC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-4-16(5-3-1)19-14-21(17-8-12-23-13-9-17)15-22(19)18-6-10-20-11-7-18/h1-5,17-20H,6-15H2/t19-/m0/s1
InChIKeyOAHXYUYFMGUAOL-IBGZPJMESA-N
MW315.46 g/mol
LogP2.23
Rot. Bonds3

About 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine

4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine (PubChem CID 141171805) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine
PubChem CID141171805
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine
SMILESc1ccc([C@@H]2CN(C3CCOCC3)CN2C2CCNCC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-4-16(5-3-1)19-14-21(17-8-12-23-13-9-17)15-22(19)18-6-10-20-11-7-18/h1-5,17-20H,6-15H2/t19-/m0/s1
InChIKeyOAHXYUYFMGUAOL-IBGZPJMESA-N
XLogP2.23
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine?
The IUPAC name of 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine (CID 141171805) is 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine.
What is the SMILES notation for 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine?
The canonical SMILES for 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine is c1ccc([C@@H]2CN(C3CCOCC3)CN2C2CCNCC2)cc1.
What is the InChIKey of 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine?
The InChIKey is OAHXYUYFMGUAOL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-4-16(5-3-1)19-14-21(17-8-12-23-13-9-17)15-22(19)18-6-10-20-11-7-18/h1-5,17-20H,6-15H2/t19-/m0/s1.
What are the key properties of 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine?
4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine has a molecular weight of 315.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3-(oxan-4-yl)-5-phenylimidazolidin-1-yl]piperidine is sourced from PubChem (CID 141171805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).