[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol

C17H26N2O — CID 63170440

IUPAC[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14-11-15(13-20)5-6-17(14)19-10-7-16(12-19)18-8-3-2-4-9-18/h5-6,11,16,20H,2-4,7-10,12-13H2,1H3
InChIKeyGHBMMXKBNZZISP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds3

About [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol

[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 63170440) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
PubChem CID63170440
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14-11-15(13-20)5-6-17(14)19-10-7-16(12-19)18-8-3-2-4-9-18/h5-6,11,16,20H,2-4,7-10,12-13H2,1H3
InChIKeyGHBMMXKBNZZISP-UHFFFAOYSA-N
XLogP2.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol (CID 63170440) is [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol is Cc1cc(CO)ccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is GHBMMXKBNZZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-11-15(13-20)5-6-17(14)19-10-7-16(12-19)18-8-3-2-4-9-18/h5-6,11,16,20H,2-4,7-10,12-13H2,1H3.
What are the key properties of [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol?
[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 274.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 63170440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).