4-pyrrolidin-1-ylbutan-1-ol

C8H17NO — CID 13171952

IUPAC4-pyrrolidin-1-ylbutan-1-ol
SMILESOCCCCN1CCCC1
InChIInChI=1S/C8H17NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-8H2
InChIKeyONQHKOLMQDHHDN-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds4

About 4-pyrrolidin-1-ylbutan-1-ol

4-pyrrolidin-1-ylbutan-1-ol (PubChem CID 13171952) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutan-1-ol
PubChem CID13171952
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-pyrrolidin-1-ylbutan-1-ol
SMILESOCCCCN1CCCC1
InChIInChI=1S/C8H17NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-8H2
InChIKeyONQHKOLMQDHHDN-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butanol, 4-dipropylamino-
CID 144402
1-Pyrrolidinepropanol
CID 209342
4-(Diethylamino)butan-1-ol
CID 75894
1-Methylpyrrolidin-2-ol
CID 111279
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
4-di-n-Butylaminobutanol-1
CID 296350
2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol
CID 10057969
Hydroxyl ethyl pyrrolidine
CID 13726424
Pyrrolidylpropanol
CID 17982940
1-Methylpyrrolidine-2,5-diol
CID 20675081
1-(4-Pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-ol
CID 129638029
4,4',4''-Nitrilotris(butan-1-ol)
CID 10149161

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 4-pyrrolidin-1-ylbutan-1-ol (CID 13171952) is 4-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 4-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 4-pyrrolidin-1-ylbutan-1-ol is OCCCCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is ONQHKOLMQDHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-8H2.
What are the key properties of 4-pyrrolidin-1-ylbutan-1-ol?
4-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 13171952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).