4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine

C18H29N — CID 69030309

IUPAC4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-14(2)19-12-10-16(11-13-19)15-6-8-17(9-7-15)18(3,4)5/h6-9,14,16H,10-13H2,1-5H3
InChIKeyLEZFMSRJKSLIEL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.57
Rot. Bonds2

About 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine

4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine (PubChem CID 69030309) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
PubChem CID69030309
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-14(2)19-12-10-16(11-13-19)15-6-8-17(9-7-15)18(3,4)5/h6-9,14,16H,10-13H2,1-5H3
InChIKeyLEZFMSRJKSLIEL-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
CID 146530215
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
CID 146177045
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1-tert-butyl-4-(4-methylidenecyclohexyl)benzene
CID 90948712
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine
CID 168993350
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323
2-chloro-4-(1-propan-2-ylpiperidin-4-yl)pyridine
CID 66509908

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine (CID 69030309) is 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine?
The InChIKey is LEZFMSRJKSLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)19-12-10-16(11-13-19)15-6-8-17(9-7-15)18(3,4)5/h6-9,14,16H,10-13H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine?
4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine has a molecular weight of 259.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 69030309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).