1-[4-(1-cyclohexylethoxy)phenyl]piperidine

C19H29NO — CID 154185560

IUPAC1-[4-(1-cyclohexylethoxy)phenyl]piperidine
SMILESCC(Oc1ccc(N2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-16(17-8-4-2-5-9-17)21-19-12-10-18(11-13-19)20-14-6-3-7-15-20/h10-13,16-17H,2-9,14-15H2,1H3
InChIKeyTVGJIDDGGDRFML-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.02
Rot. Bonds4

About 1-[4-(1-cyclohexylethoxy)phenyl]piperidine

1-[4-(1-cyclohexylethoxy)phenyl]piperidine (PubChem CID 154185560) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[4-(1-cyclohexylethoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(1-cyclohexylethoxy)phenyl]piperidine
PubChem CID154185560
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[4-(1-cyclohexylethoxy)phenyl]piperidine
SMILESCC(Oc1ccc(N2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-16(17-8-4-2-5-9-17)21-19-12-10-18(11-13-19)20-14-6-3-7-15-20/h10-13,16-17H,2-9,14-15H2,1H3
InChIKeyTVGJIDDGGDRFML-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.02
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

1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
1-(4-methoxyphenyl)piperidine
CID 10130315
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
[4-(1-cyclohexylethoxy)phenyl]methanol
CID 68815340
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
CID 43315540
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene
CID 176831557
1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile
CID 117008100
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-(4-piperidin-1-ylphenoxy)propanoic acid
CID 21405699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclohexylethoxy)phenyl]piperidine?
The IUPAC name of 1-[4-(1-cyclohexylethoxy)phenyl]piperidine (CID 154185560) is 1-[4-(1-cyclohexylethoxy)phenyl]piperidine.
What is the SMILES notation for 1-[4-(1-cyclohexylethoxy)phenyl]piperidine?
The canonical SMILES for 1-[4-(1-cyclohexylethoxy)phenyl]piperidine is CC(Oc1ccc(N2CCCCC2)cc1)C1CCCCC1.
What is the InChIKey of 1-[4-(1-cyclohexylethoxy)phenyl]piperidine?
The InChIKey is TVGJIDDGGDRFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-16(17-8-4-2-5-9-17)21-19-12-10-18(11-13-19)20-14-6-3-7-15-20/h10-13,16-17H,2-9,14-15H2,1H3.
What are the key properties of 1-[4-(1-cyclohexylethoxy)phenyl]piperidine?
1-[4-(1-cyclohexylethoxy)phenyl]piperidine has a molecular weight of 287.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclohexylethoxy)phenyl]piperidine is sourced from PubChem (CID 154185560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).