trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol

C12H24N2O — CID 102734745

IUPACtrans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
SMILESCN1CCN([C@H]2CCC[C@@H]2O)CC1(C)C
InChIInChI=1S/C12H24N2O/c1-12(2)9-14(8-7-13(12)3)10-5-4-6-11(10)15/h10-11,15H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyUKUYKBNDOACBHJ-QWRGUYRKSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds1

About trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol (PubChem CID 102734745) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
PubChem CID102734745
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nametrans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
SMILESCN1CCN([C@H]2CCC[C@@H]2O)CC1(C)C
InChIInChI=1S/C12H24N2O/c1-12(2)9-14(8-7-13(12)3)10-5-4-6-11(10)15/h10-11,15H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyUKUYKBNDOACBHJ-QWRGUYRKSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
CID 131182347
2-(2,2-dimethylthiomorpholin-4-yl)cyclopentan-1-ol
CID 115772947
1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol
CID 103357582
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999932
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol (CID 102734745) is trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol is CN1CCN([C@H]2CCC[C@@H]2O)CC1(C)C.
What is the InChIKey of trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol?
The InChIKey is UKUYKBNDOACBHJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)9-14(8-7-13(12)3)10-5-4-6-11(10)15/h10-11,15H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).