4-(3,3-dipropylazetidin-1-yl)butan-2-ol

C13H27NO — CID 104549768

IUPAC4-(3,3-dipropylazetidin-1-yl)butan-2-ol
SMILESCCCC1(CCC)CN(CCC(C)O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBSPAOSYCTBSBBA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds7

About 4-(3,3-dipropylazetidin-1-yl)butan-2-ol

4-(3,3-dipropylazetidin-1-yl)butan-2-ol (PubChem CID 104549768) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(3,3-dipropylazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3,3-dipropylazetidin-1-yl)butan-2-ol
PubChem CID104549768
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(3,3-dipropylazetidin-1-yl)butan-2-ol
SMILESCCCC1(CCC)CN(CCC(C)O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBSPAOSYCTBSBBA-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dipropylazetidin-1-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
CID 107319611
1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
CID 104549849
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
CID 63635754
4-(3,3-diethylazetidin-1-yl)-1-methoxybutan-2-ol
CID 106246281
4-(1-ethylcyclobutyl)butan-2-ol
CID 130601505
4-(3,3-dipropylazetidin-1-yl)pentanoic acid
CID 79695411
3,3-dibutyl-1-(2-chloroethyl)azetidine;hydrochloride
CID 21449995
6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
CID 79695309
(2R)-pentan-2-ol
CID 7014876
5-(2-azaspiro[3.5]nonan-2-yl)pentan-2-ol
CID 106131344
3,3-difluoro-1-(3-fluorohexyl)azetidine
CID 139476963
2-methyl-5-[3-(3-methylbut-3-enyl)-3-propylazetidin-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166980897

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The IUPAC name of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol (CID 104549768) is 4-(3,3-dipropylazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The canonical SMILES for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol is CCCC1(CCC)CN(CCC(C)O)C1.
What is the InChIKey of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
The InChIKey is BSPAOSYCTBSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(8-5-2)10-14(11-13)9-6-12(3)15/h12,15H,4-11H2,1-3H3.
What are the key properties of 4-(3,3-dipropylazetidin-1-yl)butan-2-ol?
4-(3,3-dipropylazetidin-1-yl)butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dipropylazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 104549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).