2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol

C24H34N2O — CID 122185204

IUPAC2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol
SMILESCC(C)Nc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C24H34N2O/c1-19(2)25-23-13-10-20(11-14-23)7-6-8-21-9-12-22(24(27)17-21)18-26-15-4-3-5-16-26/h9-14,17,19,25,27H,3-8,15-16,18H2,1-2H3
InChIKeyPUAFOSVYFFWFRR-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.37
Rot. Bonds8

About 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol

2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol (PubChem CID 122185204) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol
PubChem CID122185204
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol
SMILESCC(C)Nc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C24H34N2O/c1-19(2)25-23-13-10-20(11-14-23)7-6-8-21-9-12-22(24(27)17-21)18-26-15-4-3-5-16-26/h9-14,17,19,25,27H,3-8,15-16,18H2,1-2H3
InChIKeyPUAFOSVYFFWFRR-UHFFFAOYSA-N
XLogP5.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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US10934303, Example 30
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2-(Anilinomethyl)phenol
CID 220804
2-{[4-(Diethylamino)piperidin-1-Yl]methyl}-6-Iodo-4-[3-(Phenylamino)prop-1-Yn-1-Yl]phenol
CID 56844250
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CID 292419
3-[(7R,8R,9aR)-2-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094376
Cambridge id 5429125
CID 783341
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CID 818460
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CID 3640285
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CID 6602835

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol?
The IUPAC name of 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol (CID 122185204) is 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol is CC(C)Nc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol?
The InChIKey is PUAFOSVYFFWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-19(2)25-23-13-10-20(11-14-23)7-6-8-21-9-12-22(24(27)17-21)18-26-15-4-3-5-16-26/h9-14,17,19,25,27H,3-8,15-16,18H2,1-2H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol?
2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol is sourced from PubChem (CID 122185204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).