4-[5-(4-ethoxyphenyl)pentyl]piperidine

C18H29NO — CID 91362170

IUPAC4-[5-(4-ethoxyphenyl)pentyl]piperidine
SMILESCCOc1ccc(CCCCCC2CCNCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-20-18-10-8-16(9-11-18)6-4-3-5-7-17-12-14-19-15-13-17/h8-11,17,19H,2-7,12-15H2,1H3
InChIKeyYBTURMOMULXNKI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds8

About 4-[5-(4-ethoxyphenyl)pentyl]piperidine

4-[5-(4-ethoxyphenyl)pentyl]piperidine (PubChem CID 91362170) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)pentyl]piperidine.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)pentyl]piperidine
PubChem CID91362170
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[5-(4-ethoxyphenyl)pentyl]piperidine
SMILESCCOc1ccc(CCCCCC2CCNCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-20-18-10-8-16(9-11-18)6-4-3-5-7-17-12-14-19-15-13-17/h8-11,17,19H,2-7,12-15H2,1H3
InChIKeyYBTURMOMULXNKI-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride
CID 174282200
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
CID 147775404
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)pentyl]piperidine?
The IUPAC name of 4-[5-(4-ethoxyphenyl)pentyl]piperidine (CID 91362170) is 4-[5-(4-ethoxyphenyl)pentyl]piperidine.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)pentyl]piperidine?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)pentyl]piperidine is CCOc1ccc(CCCCCC2CCNCC2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)pentyl]piperidine?
The InChIKey is YBTURMOMULXNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-20-18-10-8-16(9-11-18)6-4-3-5-7-17-12-14-19-15-13-17/h8-11,17,19H,2-7,12-15H2,1H3.
What are the key properties of 4-[5-(4-ethoxyphenyl)pentyl]piperidine?
4-[5-(4-ethoxyphenyl)pentyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)pentyl]piperidine is sourced from PubChem (CID 91362170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).