1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol

C19H23NO2 — CID 3574233

IUPAC1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23NO2/c21-18-10-12-20(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-9,18,21H,10-15H2
InChIKeyNPTPSTMWVJJQKD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.22
Rot. Bonds5

About 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol

1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol (PubChem CID 3574233) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol
PubChem CID3574233
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23NO2/c21-18-10-12-20(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-9,18,21H,10-15H2
InChIKeyNPTPSTMWVJJQKD-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol (CID 3574233) is 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol is OC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is NPTPSTMWVJJQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-10-12-20(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-9,18,21H,10-15H2.
What are the key properties of 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol?
1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 297.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 3574233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).