1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C20H28N2O — CID 2861437

IUPAC1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCCCC1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C20H28N2O/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22/h2,4,8,10,16,23H,1,3,5-7,9,11-15H2
InChIKeyRLYZQJDARVHWHS-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.37
Rot. Bonds4

About 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 2861437) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID2861437
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCCCC1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C20H28N2O/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22/h2,4,8,10,16,23H,1,3,5-7,9,11-15H2
InChIKeyRLYZQJDARVHWHS-UHFFFAOYSA-N
XLogP3.37
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 2861437) is 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is OC(CN1CCCCC1)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is RLYZQJDARVHWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-16(14-21-12-6-1-7-13-21)15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22/h2,4,8,10,16,23H,1,3,5-7,9,11-15H2.
What are the key properties of 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 312.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2861437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).