1-[4-(2-tert-butylphenoxy)butyl]piperidine

C19H31NO — CID 2057725

IUPAC1-[4-(2-tert-butylphenoxy)butyl]piperidine
SMILESCC(C)(C)c1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-11-5-6-12-18(17)21-16-10-9-15-20-13-7-4-8-14-20/h5-6,11-12H,4,7-10,13-16H2,1-3H3
InChIKeyNLQFQHHZJHCNBS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds6

About 1-[4-(2-tert-butylphenoxy)butyl]piperidine

1-[4-(2-tert-butylphenoxy)butyl]piperidine (PubChem CID 2057725) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[4-(2-tert-butylphenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(2-tert-butylphenoxy)butyl]piperidine
PubChem CID2057725
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[4-(2-tert-butylphenoxy)butyl]piperidine
SMILESCC(C)(C)c1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-11-5-6-12-18(17)21-16-10-9-15-20-13-7-4-8-14-20/h5-6,11-12H,4,7-10,13-16H2,1-3H3
InChIKeyNLQFQHHZJHCNBS-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.63
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-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-tert-butyl-2-heptoxybenzene
CID 64763672
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butylphenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(2-tert-butylphenoxy)butyl]piperidine (CID 2057725) is 1-[4-(2-tert-butylphenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(2-tert-butylphenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(2-tert-butylphenoxy)butyl]piperidine is CC(C)(C)c1ccccc1OCCCCN1CCCCC1.
What is the InChIKey of 1-[4-(2-tert-butylphenoxy)butyl]piperidine?
The InChIKey is NLQFQHHZJHCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)17-11-5-6-12-18(17)21-16-10-9-15-20-13-7-4-8-14-20/h5-6,11-12H,4,7-10,13-16H2,1-3H3.
What are the key properties of 1-[4-(2-tert-butylphenoxy)butyl]piperidine?
1-[4-(2-tert-butylphenoxy)butyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tert-butylphenoxy)butyl]piperidine is sourced from PubChem (CID 2057725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).