4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine

C30H36N2O — CID 130451089

IUPAC4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
SMILESc1ccc(COc2ccc(N3CCCCC3)cc2N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N2O/c1-4-10-25(11-5-1)22-26-16-20-32(21-17-26)29-23-28(31-18-8-3-9-19-31)14-15-30(29)33-24-27-12-6-2-7-13-27/h1-2,4-7,10-15,23,26H,3,8-9,16-22,24H2
InChIKeyVHCGFCJEXQHAQE-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.72
Rot. Bonds7

About 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine

4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine (PubChem CID 130451089) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
PubChem CID130451089
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
SMILESc1ccc(COc2ccc(N3CCCCC3)cc2N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N2O/c1-4-10-25(11-5-1)22-26-16-20-32(21-17-26)29-23-28(31-18-8-3-9-19-31)14-15-30(29)33-24-27-12-6-2-7-13-27/h1-2,4-7,10-15,23,26H,3,8-9,16-22,24H2
InChIKeyVHCGFCJEXQHAQE-UHFFFAOYSA-N
XLogP6.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 130451387
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine
CID 23111415
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-5-piperidin-1-ylphenyl]piperazine-1-carboxylate
CID 130451103
1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
CID 140993259
3-[(4-benzylpiperidin-1-yl)methyl]-4-phenylmethoxybenzaldehyde
CID 22716807

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine?
The IUPAC name of 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine (CID 130451089) is 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine is c1ccc(COc2ccc(N3CCCCC3)cc2N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine?
The InChIKey is VHCGFCJEXQHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-4-10-25(11-5-1)22-26-16-20-32(21-17-26)29-23-28(31-18-8-3-9-19-31)14-15-30(29)33-24-27-12-6-2-7-13-27/h1-2,4-7,10-15,23,26H,3,8-9,16-22,24H2.
What are the key properties of 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine?
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine has a molecular weight of 440.63 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine is sourced from PubChem (CID 130451089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).