4,4-diphenyl-6-piperidin-1-ylhexan-3-imine

C23H30N2 — CID 3050617

IUPAC4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
SMILES[H]/N=C(\CC)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/c1-2-22(24)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-25-17-10-5-11-18-25/h3-4,6-9,12-15,24H,2,5,10-11,16-19H2,1H3/b24-22+
InChIKeyYVJNVHVNGQLNOY-ZNTNEXAZSA-N
MW334.51 g/mol
LogP5.28
Rot. Bonds7

About 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine

4,4-diphenyl-6-piperidin-1-ylhexan-3-imine (PubChem CID 3050617) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine.

Molecular Properties

Compound Name4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
PubChem CID3050617
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
SMILES[H]/N=C(\CC)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/c1-2-22(24)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-25-17-10-5-11-18-25/h3-4,6-9,12-15,24H,2,5,10-11,16-19H2,1H3/b24-22+
InChIKeyYVJNVHVNGQLNOY-ZNTNEXAZSA-N
XLogP5.28
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The IUPAC name of 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine (CID 3050617) is 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine.
What is the SMILES notation for 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The canonical SMILES for 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine is [H]/N=C(\CC)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The InChIKey is YVJNVHVNGQLNOY-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H30N2/c1-2-22(24)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-25-17-10-5-11-18-25/h3-4,6-9,12-15,24H,2,5,10-11,16-19H2,1H3/b24-22+.
What are the key properties of 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
4,4-diphenyl-6-piperidin-1-ylhexan-3-imine has a molecular weight of 334.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-6-piperidin-1-ylhexan-3-imine is sourced from PubChem (CID 3050617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).