trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol

C14H26N6O — CID 56857078

IUPACtrans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCN(CCCn2cnnn2)CC1
InChIInChI=1S/C14H26N6O/c21-14-5-2-1-4-13(14)19-10-8-18(9-11-19)6-3-7-20-12-15-16-17-20/h12-14,21H,1-11H2/t13-,14-/m0/s1
InChIKeyJDCFPOSHTYTBNS-KBPBESRZSA-N
MW294.40 g/mol
LogP-0.02
Rot. Bonds5

About trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol (PubChem CID 56857078) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol
PubChem CID56857078
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Nametrans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCN(CCCn2cnnn2)CC1
InChIInChI=1S/C14H26N6O/c21-14-5-2-1-4-13(14)19-10-8-18(9-11-19)6-3-7-20-12-15-16-17-20/h12-14,21H,1-11H2/t13-,14-/m0/s1
InChIKeyJDCFPOSHTYTBNS-KBPBESRZSA-N
XLogP-0.02
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 154888412
{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]piperidin-2-yl}methanol
CID 50949255
[(2R)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol
CID 95120019
[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol
CID 95120020
2-[(1-Butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
CID 102636336
2-[Methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
CID 102636709
2-[4-(1,2,4-Triazol-1-yl)piperidin-1-yl]cyclohexan-1-ol
CID 109622683

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol (CID 56857078) is trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCN(CCCn2cnnn2)CC1.
What is the InChIKey of trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is JDCFPOSHTYTBNS-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26N6O/c21-14-5-2-1-4-13(14)19-10-8-18(9-11-19)6-3-7-20-12-15-16-17-20/h12-14,21H,1-11H2/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 294.40 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-[3-(tetrazol-1-yl)propyl]piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 56857078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).