N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine

C27H32N2O — CID 10525046

IUPACN-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine
SMILESc1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2
InChIKeyPSNHNKLTGOOICN-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.05
Rot. Bonds9

About N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine

N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine (PubChem CID 10525046) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine
PubChem CID10525046
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine
SMILESc1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2
InChIKeyPSNHNKLTGOOICN-UHFFFAOYSA-N
XLogP5.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine?
The IUPAC name of N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine (CID 10525046) is N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine is c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine?
The InChIKey is PSNHNKLTGOOICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2.
What are the key properties of N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine?
N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine has a molecular weight of 400.57 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-1-benzylpiperidin-4-amine is sourced from PubChem (CID 10525046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).