2-[2-(4-phenylbutoxy)ethyl]piperidine

C17H27NO — CID 114334035

IUPAC2-[2-(4-phenylbutoxy)ethyl]piperidine
SMILESc1ccc(CCCCOCCC2CCCCN2)cc1
InChIInChI=1S/C17H27NO/c1-2-8-16(9-3-1)10-5-7-14-19-15-12-17-11-4-6-13-18-17/h1-3,8-9,17-18H,4-7,10-15H2
InChIKeyPBNFOTOEPKRHOM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds8

About 2-[2-(4-phenylbutoxy)ethyl]piperidine

2-[2-(4-phenylbutoxy)ethyl]piperidine (PubChem CID 114334035) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-(4-phenylbutoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-phenylbutoxy)ethyl]piperidine
PubChem CID114334035
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[2-(4-phenylbutoxy)ethyl]piperidine
SMILESc1ccc(CCCCOCCC2CCCCN2)cc1
InChIInChI=1S/C17H27NO/c1-2-8-16(9-3-1)10-5-7-14-19-15-12-17-11-4-6-13-18-17/h1-3,8-9,17-18H,4-7,10-15H2
InChIKeyPBNFOTOEPKRHOM-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
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

2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylbutoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(4-phenylbutoxy)ethyl]piperidine (CID 114334035) is 2-[2-(4-phenylbutoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(4-phenylbutoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(4-phenylbutoxy)ethyl]piperidine is c1ccc(CCCCOCCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-(4-phenylbutoxy)ethyl]piperidine?
The InChIKey is PBNFOTOEPKRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-8-16(9-3-1)10-5-7-14-19-15-12-17-11-4-6-13-18-17/h1-3,8-9,17-18H,4-7,10-15H2.
What are the key properties of 2-[2-(4-phenylbutoxy)ethyl]piperidine?
2-[2-(4-phenylbutoxy)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylbutoxy)ethyl]piperidine is sourced from PubChem (CID 114334035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).