N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine

C30H38N2O — CID 10003490

IUPACN-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine
SMILESCN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3
InChIKeySUFVPROIOBRYEK-UHFFFAOYSA-N
MW442.65 g/mol
LogP5.82
Rot. Bonds11

About N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine

N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine (PubChem CID 10003490) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine
PubChem CID10003490
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC NameN-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine
SMILESCN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3
InChIKeySUFVPROIOBRYEK-UHFFFAOYSA-N
XLogP5.82
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine (CID 10003490) is N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine is CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is SUFVPROIOBRYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3.
What are the key properties of N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine?
N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 442.65 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-N-methyl-1-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 10003490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).