1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine

C23H31NO — CID 54453009

IUPAC1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
SMILESCCCCCN1CCCC(COc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C23H31NO/c1-2-3-7-15-24-16-9-10-20(18-24)19-25-23-14-8-13-22(17-23)21-11-5-4-6-12-21/h4-6,8,11-14,17,20H,2-3,7,9-10,15-16,18-19H2,1H3
InChIKeyWWFYUVKNMOFGSR-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.63
Rot. Bonds8

About 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine

1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine (PubChem CID 54453009) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
PubChem CID54453009
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
SMILESCCCCCN1CCCC(COc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C23H31NO/c1-2-3-7-15-24-16-9-10-20(18-24)19-25-23-14-8-13-22(17-23)21-11-5-4-6-12-21/h4-6,8,11-14,17,20H,2-3,7,9-10,15-16,18-19H2,1H3
InChIKeyWWFYUVKNMOFGSR-UHFFFAOYSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-3-[(3-propan-2-ylphenoxy)methyl]piperidine;hydrochloride
CID 67869623
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86972245
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
CID 58737652
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
CID 45175801
3-ethyl-1-heptylpiperidine
CID 171569576
2-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95126453
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine?
The IUPAC name of 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine (CID 54453009) is 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine?
The canonical SMILES for 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine is CCCCCN1CCCC(COc2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine?
The InChIKey is WWFYUVKNMOFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-7-15-24-16-9-10-20(18-24)19-25-23-14-8-13-22(17-23)21-11-5-4-6-12-21/h4-6,8,11-14,17,20H,2-3,7,9-10,15-16,18-19H2,1H3.
What are the key properties of 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine?
1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 54453009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).