1-benzhydryl-4-octylpiperidine;hydrobromide

C26H38BrN — CID 54609247

IUPAC1-benzhydryl-4-octylpiperidine;hydrobromide
SMILESBr.CCCCCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H37N.BrH/c1-2-3-4-5-6-9-14-23-19-21-27(22-20-23)26(24-15-10-7-11-16-24)25-17-12-8-13-18-25;/h7-8,10-13,15-18,23,26H,2-6,9,14,19-22H2,1H3;1H
InChIKeyMBUPDZSFJHSEPR-UHFFFAOYSA-N
MW444.50 g/mol
LogP7.82
Rot. Bonds10

About 1-benzhydryl-4-octylpiperidine;hydrobromide

1-benzhydryl-4-octylpiperidine;hydrobromide (PubChem CID 54609247) has the molecular formula C26H38BrN and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-benzhydryl-4-octylpiperidine;hydrobromide.

Molecular Properties

Compound Name1-benzhydryl-4-octylpiperidine;hydrobromide
PubChem CID54609247
Molecular FormulaC26H38BrN
Molecular Weight444.50 g/mol
Exact Mass443.22
IUPAC Name1-benzhydryl-4-octylpiperidine;hydrobromide
SMILESBr.CCCCCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H37N.BrH/c1-2-3-4-5-6-9-14-23-19-21-27(22-20-23)26(24-15-10-7-11-16-24)25-17-12-8-13-18-25;/h7-8,10-13,15-18,23,26H,2-6,9,14,19-22H2,1H3;1H
InChIKeyMBUPDZSFJHSEPR-UHFFFAOYSA-N
XLogP7.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
CID 22970094
1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
CID 23381404
benzyl 4-[(4-butylpiperidin-1-yl)-phenylmethyl]benzoate
CID 22970140
3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
CID 23381417
1-benzhydryl-4-octylpiperazine
CID 12006583
(4-hexylpiperidin-1-yl)-diphenylphosphane
CID 59090045
4-octyl-1-propan-2-ylpiperidine
CID 167231286
1-benzhydryl-4-butylpiperazine
CID 13416419
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-octylpiperidine;hydrobromide?
The IUPAC name of 1-benzhydryl-4-octylpiperidine;hydrobromide (CID 54609247) is 1-benzhydryl-4-octylpiperidine;hydrobromide.
What is the SMILES notation for 1-benzhydryl-4-octylpiperidine;hydrobromide?
The canonical SMILES for 1-benzhydryl-4-octylpiperidine;hydrobromide is Br.CCCCCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-octylpiperidine;hydrobromide?
The InChIKey is MBUPDZSFJHSEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N.BrH/c1-2-3-4-5-6-9-14-23-19-21-27(22-20-23)26(24-15-10-7-11-16-24)25-17-12-8-13-18-25;/h7-8,10-13,15-18,23,26H,2-6,9,14,19-22H2,1H3;1H.
What are the key properties of 1-benzhydryl-4-octylpiperidine;hydrobromide?
1-benzhydryl-4-octylpiperidine;hydrobromide has a molecular weight of 444.50 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-octylpiperidine;hydrobromide is sourced from PubChem (CID 54609247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).