5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol

C21H27NO — CID 122185206

IUPAC5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccccc2)ccc1CN1CCCCC1
InChIInChI=1S/C21H27NO/c23-21-16-19(11-7-10-18-8-3-1-4-9-18)12-13-20(21)17-22-14-5-2-6-15-22/h1,3-4,8-9,12-13,16,23H,2,5-7,10-11,14-15,17H2
InChIKeyNSGMOJWWSSAAAR-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.55
Rot. Bonds6

About 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol

5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol (PubChem CID 122185206) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol
PubChem CID122185206
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccccc2)ccc1CN1CCCCC1
InChIInChI=1S/C21H27NO/c23-21-16-19(11-7-10-18-8-3-1-4-9-18)12-13-20(21)17-22-14-5-2-6-15-22/h1,3-4,8-9,12-13,16,23H,2,5-7,10-11,14-15,17H2
InChIKeyNSGMOJWWSSAAAR-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.55
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

3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, hydrochloride (1:1)
CID 114875
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
4-Phenyl-1-(phenylmethyl)-4-piperidinol
CID 97333
1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
CID 94986
2-((Dimethylamino)methyl)phenol
CID 32897
Bialamicol
CID 10304
Rti-5989-25
CID 9840689
1-Naphthalenol, 2-(4-morpholinylmethyl)-
CID 382950
3-(N-propylpiperidin-4-yl)phenol
CID 12988959
1-Benzyl-4-(3-hydroxyphenyl)piperidine
CID 22397839
Bis[(dimethylamino)methyl]phenol
CID 3018067

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol (CID 122185206) is 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol is Oc1cc(CCCc2ccccc2)ccc1CN1CCCCC1.
What is the InChIKey of 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is NSGMOJWWSSAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21-16-19(11-7-10-18-8-3-1-4-9-18)12-13-20(21)17-22-14-5-2-6-15-22/h1,3-4,8-9,12-13,16,23H,2,5-7,10-11,14-15,17H2.
What are the key properties of 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol?
5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 309.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 122185206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).