trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol

C13H26N2O — CID 102734676

IUPACtrans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
SMILESCCC(C)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)14-7-9-15(10-8-14)12-5-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyOKDAOWABJQUMFI-SPOOISQMSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds3

About trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol (PubChem CID 102734676) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
PubChem CID102734676
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nametrans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
SMILESCCC(C)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)14-7-9-15(10-8-14)12-5-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyOKDAOWABJQUMFI-SPOOISQMSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 102734677
2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
CID 55117691
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
CID 63074577
2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
CID 62774800
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
3-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 79643371
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-[4-(1-aminoethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63595035
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol (CID 102734676) is trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol is CCC(C)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol?
The InChIKey is OKDAOWABJQUMFI-SPOOISQMSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(2)14-7-9-15(10-8-14)12-5-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).