1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine

C21H33NO — CID 13022864

IUPAC1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine
SMILESCC(C)(C)C1CCC(Oc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33NO/c1-21(2,3)17-7-11-19(12-8-17)23-20-13-9-18(10-14-20)22-15-5-4-6-16-22/h9-10,13-14,17,19H,4-8,11-12,15-16H2,1-3H3
InChIKeyWKQJRIAUDQXUTQ-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.66
Rot. Bonds3

About 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine

1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine (PubChem CID 13022864) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine
PubChem CID13022864
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine
SMILESCC(C)(C)C1CCC(Oc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33NO/c1-21(2,3)17-7-11-19(12-8-17)23-20-13-9-18(10-14-20)22-15-5-4-6-16-22/h9-10,13-14,17,19H,4-8,11-12,15-16H2,1-3H3
InChIKeyWKQJRIAUDQXUTQ-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
1-(4-cycloheptyloxyphenyl)piperidin-4-amine
CID 82925702
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
1-(4-methoxyphenyl)piperidine
CID 10130315
[3-[4-(4-tert-butylcyclohexyl)oxyphenyl]pyrrolidin-1-yl]-methylborinic acid
CID 123813686
1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
CID 91265545
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperazine;3-[4-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperazin-1-yl]propanoic acid;ethyl prop-2-enoate
CID 159115479
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
1-[4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 63936915
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine?
The IUPAC name of 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine (CID 13022864) is 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine.
What is the SMILES notation for 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine?
The canonical SMILES for 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine is CC(C)(C)C1CCC(Oc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine?
The InChIKey is WKQJRIAUDQXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-21(2,3)17-7-11-19(12-8-17)23-20-13-9-18(10-14-20)22-15-5-4-6-16-22/h9-10,13-14,17,19H,4-8,11-12,15-16H2,1-3H3.
What are the key properties of 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine?
1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine has a molecular weight of 315.50 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine is sourced from PubChem (CID 13022864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).