2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol

C14H27N3O — CID 66195786

IUPAC2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c18-14-5-3-1-2-4-13(14)17-10-12(11-17)16-8-6-15-7-9-16/h12-15,18H,1-11H2
InChIKeyBLRBZUBGCAASJU-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.27
Rot. Bonds2

About 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol

2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol (PubChem CID 66195786) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
PubChem CID66195786
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c18-14-5-3-1-2-4-13(14)17-10-12(11-17)16-8-6-15-7-9-16/h12-15,18H,1-11H2
InChIKeyBLRBZUBGCAASJU-UHFFFAOYSA-N
XLogP0.27
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-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

1-Piperazin-1-yloctan-2-ol
CID 20246886
1-(Azetidin-3-yl)piperidin-3-ol
CID 21836495
2-Piperazin-1-ylnonan-1-ol
CID 22386494
8-(Azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 24989689
(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 59743040
3-Piperazin-1-yltridecan-2-ol
CID 67639891
(2S)-2-piperazin-1-ylnonan-1-ol
CID 69800844
1-Piperazin-1-ylheptan-2-ol
CID 70501156
[6-(Aminomethyl)piperidin-2-yl]methanol
CID 75480737
(3S)-1-(azetidin-3-yl)piperidin-3-ol
CID 96487267
[(2S,6R)-6-(aminomethyl)piperidin-2-yl]methanol
CID 97297841
1-(1-(2-Aminoethyl)piperidin-2-yl)ethan-1-ol
CID 121201750

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol (CID 66195786) is 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol is OC1CCCCCC1N1CC(N2CCNCC2)C1.
What is the InChIKey of 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol?
The InChIKey is BLRBZUBGCAASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14-5-3-1-2-4-13(14)17-10-12(11-17)16-8-6-15-7-9-16/h12-15,18H,1-11H2.
What are the key properties of 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol?
2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 66195786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).