trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol

C11H23N3O — CID 102731567

IUPACtrans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
SMILESCN1CCN(N[C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C11H23N3O/c1-13-6-8-14(9-7-13)12-10-4-2-3-5-11(10)15/h10-12,15H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyVXHLGMDZJXOICC-QWRGUYRKSA-N
MW213.32 g/mol
LogP0.04
Rot. Bonds2

About trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol (PubChem CID 102731567) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
PubChem CID102731567
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Nametrans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
SMILESCN1CCN(N[C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C11H23N3O/c1-13-6-8-14(9-7-13)12-10-4-2-3-5-11(10)15/h10-12,15H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyVXHLGMDZJXOICC-QWRGUYRKSA-N
XLogP0.04
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
CID 102731566
2-(piperidin-1-ylamino)cycloheptan-1-ol
CID 83014077
2-(piperidin-1-ylamino)cyclopentan-1-ol
CID 83014688
2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83021022
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol
CID 79100005
trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol
CID 131701473
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
4-methyl-N-(1-methylpiperidin-3-yl)piperazin-1-amine
CID 83009082

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol (CID 102731567) is trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol is CN1CCN(N[C@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol?
The InChIKey is VXHLGMDZJXOICC-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-6-8-14(9-7-13)12-10-4-2-3-5-11(10)15/h10-12,15H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).