1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine

C19H31NO — CID 156550920

IUPAC1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
SMILESCC(C)(C)Oc1ccc(C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-18(2,3)20-13-11-16(12-14-20)15-7-9-17(10-8-15)21-19(4,5)6/h7-10,16H,11-14H2,1-6H3
InChIKeyVYVZJUJNVBXBIK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.84
Rot. Bonds2

About 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine

1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine (PubChem CID 156550920) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
PubChem CID156550920
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
SMILESCC(C)(C)Oc1ccc(C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-18(2,3)20-13-11-16(12-14-20)15-7-9-17(10-8-15)21-19(4,5)6/h7-10,16H,11-14H2,1-6H3
InChIKeyVYVZJUJNVBXBIK-UHFFFAOYSA-N
XLogP4.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
CID 58980319
4-(1-tert-butylpyrrolidin-3-yl)aniline
CID 67250052
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
1-tert-butyl-4-[5-[(2-methylpropan-2-yl)oxy]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]piperidine
CID 54370589
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
tert-butyl formate;1-fluoro-4-(4-methoxyphenyl)piperidine
CID 175323964
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297057
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine (CID 156550920) is 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine is CC(C)(C)Oc1ccc(C2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine?
The InChIKey is VYVZJUJNVBXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)20-13-11-16(12-14-20)15-7-9-17(10-8-15)21-19(4,5)6/h7-10,16H,11-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine?
1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine is sourced from PubChem (CID 156550920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).