1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol

C20H29N3O — CID 90669199

IUPAC1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCCCCNc1cc(C(O)CC2CCCCN2)c2ccccc2n1
InChIInChI=1S/C20H29N3O/c1-2-3-11-22-20-14-17(16-9-4-5-10-18(16)23-20)19(24)13-15-8-6-7-12-21-15/h4-5,9-10,14-15,19,21,24H,2-3,6-8,11-13H2,1H3,(H,22,23)
InChIKeyUCRYWDNWWGAQFH-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669199) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669199
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCCCCNc1cc(C(O)CC2CCCCN2)c2ccccc2n1
InChIInChI=1S/C20H29N3O/c1-2-3-11-22-20-14-17(16-9-4-5-10-18(16)23-20)19(24)13-15-8-6-7-12-21-15/h4-5,9-10,14-15,19,21,24H,2-3,6-8,11-13H2,1H3,(H,22,23)
InChIKeyUCRYWDNWWGAQFH-UHFFFAOYSA-N
XLogP4.01
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669199) is 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol is CCCCNc1cc(C(O)CC2CCCCN2)c2ccccc2n1.
What is the InChIKey of 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is UCRYWDNWWGAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-3-11-22-20-14-17(16-9-4-5-10-18(16)23-20)19(24)13-15-8-6-7-12-21-15/h4-5,9-10,14-15,19,21,24H,2-3,6-8,11-13H2,1H3,(H,22,23).
What are the key properties of 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 327.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylamino)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).