1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine

C23H31NO — CID 67870450

IUPAC1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine
SMILESCCC(CCN1CCCCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO/c1-2-20(15-18-24-16-7-4-8-17-24)19-25-23-13-11-22(12-14-23)21-9-5-3-6-10-21/h3,5-6,9-14,20H,2,4,7-8,15-19H2,1H3
InChIKeySXNUCMYGZVTTON-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.63
Rot. Bonds8

About 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine

1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine (PubChem CID 67870450) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine.

Molecular Properties

Compound Name1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine
PubChem CID67870450
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine
SMILESCCC(CCN1CCCCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO/c1-2-20(15-18-24-16-7-4-8-17-24)19-25-23-13-11-22(12-14-23)21-9-5-3-6-10-21/h3,5-6,9-14,20H,2,4,7-8,15-19H2,1H3
InChIKeySXNUCMYGZVTTON-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

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Related Compounds

1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine
CID 67869291
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine?
The IUPAC name of 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine (CID 67870450) is 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine.
What is the SMILES notation for 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine?
The canonical SMILES for 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine is CCC(CCN1CCCCC1)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine?
The InChIKey is SXNUCMYGZVTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-20(15-18-24-16-7-4-8-17-24)19-25-23-13-11-22(12-14-23)21-9-5-3-6-10-21/h3,5-6,9-14,20H,2,4,7-8,15-19H2,1H3.
What are the key properties of 1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine?
1-[3-[(4-phenylphenoxy)methyl]pentyl]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-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine is sourced from PubChem (CID 67870450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).