5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol

C25H29NO — CID 122184332

IUPAC5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccc3ccccc3c2)ccc1CN1CCCCC1
InChIInChI=1S/C25H29NO/c27-25-18-21(12-14-24(25)19-26-15-4-1-5-16-26)8-6-7-20-11-13-22-9-2-3-10-23(22)17-20/h2-3,9-14,17-18,27H,1,4-8,15-16,19H2
InChIKeyOREYMMNXXWZCOC-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.71
Rot. Bonds6

About 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol

5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol (PubChem CID 122184332) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol
PubChem CID122184332
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccc3ccccc3c2)ccc1CN1CCCCC1
InChIInChI=1S/C25H29NO/c27-25-18-21(12-14-24(25)19-26-15-4-1-5-16-26)8-6-7-20-11-13-22-9-2-3-10-23(22)17-20/h2-3,9-14,17-18,27H,1,4-8,15-16,19H2
InChIKeyOREYMMNXXWZCOC-UHFFFAOYSA-N
XLogP5.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 33839
1-Dimethylaminomethyl-2-naphthol
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PM 1000
CID 3082625
(R)-(-)-11-hydroxy-N-n-propylnoraporphine
CID 10333842
1-Naphthalenol, 2-(4-morpholinylmethyl)-
CID 382950
1-Benzyl-4-(3-hydroxyphenyl)piperidine
CID 22397839
1,2,3,4-Tetrahydro-benzo[h]isoquinolin-8-ol
CID 9990355
6-Azepan-1-ylmethyl-2-(4,4-diphenyl-butyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
CID 9956291
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
CID 156612931
(6aR)-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 3083157
10-Methyl-11-hydroxyaporphine
CID 13994416

Frequently Asked Questions

What is the IUPAC name of 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol (CID 122184332) is 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol is Oc1cc(CCCc2ccc3ccccc3c2)ccc1CN1CCCCC1.
What is the InChIKey of 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is OREYMMNXXWZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c27-25-18-21(12-14-24(25)19-26-15-4-1-5-16-26)8-6-7-20-11-13-22-9-2-3-10-23(22)17-20/h2-3,9-14,17-18,27H,1,4-8,15-16,19H2.
What are the key properties of 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol?
5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 359.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-naphthalen-2-ylpropyl)-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 122184332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).