1-butylpiperidine;hexane;1-hexylpiperidine

C26H56N2 — CID 156727490

IUPAC1-butylpiperidine;hexane;1-hexylpiperidine
SMILESCCCCCC.CCCCCCN1CCCCC1.CCCCN1CCCCC1
InChIInChI=1S/C11H23N.C9H19N.C6H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-3-7-10-8-5-4-6-9-10;1-3-5-6-4-2/h2-11H2,1H3;2-9H2,1H3;3-6H2,1-2H3
InChIKeyUPKHAYGHQIKAAO-UHFFFAOYSA-N
MW396.75 g/mol
LogP7.91
Rot. Bonds11

About 1-butylpiperidine;hexane;1-hexylpiperidine

1-butylpiperidine;hexane;1-hexylpiperidine (PubChem CID 156727490) has the molecular formula C26H56N2 and a molecular weight of 396.75 g/mol. Its IUPAC name is 1-butylpiperidine;hexane;1-hexylpiperidine.

Molecular Properties

Compound Name1-butylpiperidine;hexane;1-hexylpiperidine
PubChem CID156727490
Molecular FormulaC26H56N2
Molecular Weight396.75 g/mol
Exact Mass396.44
IUPAC Name1-butylpiperidine;hexane;1-hexylpiperidine
SMILESCCCCCC.CCCCCCN1CCCCC1.CCCCN1CCCCC1
InChIInChI=1S/C11H23N.C9H19N.C6H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-3-7-10-8-5-4-6-9-10;1-3-5-6-4-2/h2-11H2,1H3;2-9H2,1H3;3-6H2,1-2H3
InChIKeyUPKHAYGHQIKAAO-UHFFFAOYSA-N
XLogP7.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-heptylazetidine
CID 134402356
1-tridecylpiperidine tetrafluoroborate
CID 174702126
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
acetic acid;1-nonylpiperidine
CID 175874764
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidine;hexane;1-hexylpiperidine?
The IUPAC name of 1-butylpiperidine;hexane;1-hexylpiperidine (CID 156727490) is 1-butylpiperidine;hexane;1-hexylpiperidine.
What is the SMILES notation for 1-butylpiperidine;hexane;1-hexylpiperidine?
The canonical SMILES for 1-butylpiperidine;hexane;1-hexylpiperidine is CCCCCC.CCCCCCN1CCCCC1.CCCCN1CCCCC1.
What is the InChIKey of 1-butylpiperidine;hexane;1-hexylpiperidine?
The InChIKey is UPKHAYGHQIKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C9H19N.C6H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-3-7-10-8-5-4-6-9-10;1-3-5-6-4-2/h2-11H2,1H3;2-9H2,1H3;3-6H2,1-2H3.
What are the key properties of 1-butylpiperidine;hexane;1-hexylpiperidine?
1-butylpiperidine;hexane;1-hexylpiperidine has a molecular weight of 396.75 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine;hexane;1-hexylpiperidine is sourced from PubChem (CID 156727490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).