1-[2-(4-tert-butylphenyl)propyl]piperidine

C18H29N — CID 73116860

IUPAC1-[2-(4-tert-butylphenyl)propyl]piperidine
SMILESCC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-15(14-19-12-6-5-7-13-19)16-8-10-17(11-9-16)18(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyVMYKSDCCQJBKRS-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.57
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)propyl]piperidine

1-[2-(4-tert-butylphenyl)propyl]piperidine (PubChem CID 73116860) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)propyl]piperidine
PubChem CID73116860
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[2-(4-tert-butylphenyl)propyl]piperidine
SMILESCC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N/c1-15(14-19-12-6-5-7-13-19)16-8-10-17(11-9-16)18(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyVMYKSDCCQJBKRS-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
CID 63466191
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
CID 122035694
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
CID 131865136
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)propyl]piperidine?
The IUPAC name of 1-[2-(4-tert-butylphenyl)propyl]piperidine (CID 73116860) is 1-[2-(4-tert-butylphenyl)propyl]piperidine.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)propyl]piperidine?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)propyl]piperidine is CC(CN1CCCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)propyl]piperidine?
The InChIKey is VMYKSDCCQJBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15(14-19-12-6-5-7-13-19)16-8-10-17(11-9-16)18(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)propyl]piperidine?
1-[2-(4-tert-butylphenyl)propyl]piperidine has a molecular weight of 259.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)propyl]piperidine is sourced from PubChem (CID 73116860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).