1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol

C26H39N3O — CID 91305148

IUPAC1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol
SMILESCCc1cc(C(c2cc(CC)c(N)c(CC)c2)N2CCC(O)CC2)cc(CC)c1N
InChIInChI=1S/C26H39N3O/c1-5-17-13-21(14-18(6-2)24(17)27)26(29-11-9-23(30)10-12-29)22-15-19(7-3)25(28)20(8-4)16-22/h13-16,23,26,30H,5-12,27-28H2,1-4H3
InChIKeyOUTZMCWBBXHEIR-UHFFFAOYSA-N
MW409.62 g/mol
LogP4.65
Rot. Bonds7

About 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol

1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol (PubChem CID 91305148) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol
PubChem CID91305148
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Name1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol
SMILESCCc1cc(C(c2cc(CC)c(N)c(CC)c2)N2CCC(O)CC2)cc(CC)c1N
InChIInChI=1S/C26H39N3O/c1-5-17-13-21(14-18(6-2)24(17)27)26(29-11-9-23(30)10-12-29)22-15-19(7-3)25(28)20(8-4)16-22/h13-16,23,26,30H,5-12,27-28H2,1-4H3
InChIKeyOUTZMCWBBXHEIR-UHFFFAOYSA-N
XLogP4.65
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol (CID 91305148) is 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol is CCc1cc(C(c2cc(CC)c(N)c(CC)c2)N2CCC(O)CC2)cc(CC)c1N.
What is the InChIKey of 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol?
The InChIKey is OUTZMCWBBXHEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-5-17-13-21(14-18(6-2)24(17)27)26(29-11-9-23(30)10-12-29)22-15-19(7-3)25(28)20(8-4)16-22/h13-16,23,26,30H,5-12,27-28H2,1-4H3.
What are the key properties of 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol?
1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol has a molecular weight of 409.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-amino-3,5-diethylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 91305148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).