7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol

C16H33NO3 — CID 144641470

IUPAC7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol
SMILESOCCCCCCCOCOCCCCN1CCCC1
InChIInChI=1S/C16H33NO3/c18-13-7-2-1-3-8-14-19-16-20-15-9-6-12-17-10-4-5-11-17/h18H,1-16H2
InChIKeyCRIHYSNANQWKJH-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.80
Rot. Bonds14

About 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol

7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol (PubChem CID 144641470) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol.

Molecular Properties

Compound Name7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol
PubChem CID144641470
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol
SMILESOCCCCCCCOCOCCCCN1CCCC1
InChIInChI=1S/C16H33NO3/c18-13-7-2-1-3-8-14-19-16-20-15-9-6-12-17-10-4-5-11-17/h18H,1-16H2
InChIKeyCRIHYSNANQWKJH-UHFFFAOYSA-N
XLogP2.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-(7-piperidin-1-ylheptoxy)pent-3-yn-2-one
CID 174081540

Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol?
The IUPAC name of 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol (CID 144641470) is 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol.
What is the SMILES notation for 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol?
The canonical SMILES for 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol is OCCCCCCCOCOCCCCN1CCCC1.
What is the InChIKey of 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol?
The InChIKey is CRIHYSNANQWKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c18-13-7-2-1-3-8-14-19-16-20-15-9-6-12-17-10-4-5-11-17/h18H,1-16H2.
What are the key properties of 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol?
7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 2.80, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrrolidin-1-ylbutoxymethoxy)heptan-1-ol is sourced from PubChem (CID 144641470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).