1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol

C18H24N2O — CID 11231451

IUPAC1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol
SMILESCn1cccc1C(O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17-18,21H,3,6-7,13-14H2,1H3
InChIKeyDQAVBXMQWRMXOR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.29
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol

1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol (PubChem CID 11231451) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol
PubChem CID11231451
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol
SMILESCn1cccc1C(O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17-18,21H,3,6-7,13-14H2,1H3
InChIKeyDQAVBXMQWRMXOR-UHFFFAOYSA-N
XLogP3.29
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol (CID 11231451) is 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol is Cn1cccc1C(O)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol?
The InChIKey is DQAVBXMQWRMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17-18,21H,3,6-7,13-14H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol?
1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol has a molecular weight of 284.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanol is sourced from PubChem (CID 11231451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).