5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol

C15H31N3O — CID 79857725

IUPAC5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol
SMILESCN(C)CCN1CCN(C2CCC(C)(C)C2O)CC1
InChIInChI=1S/C15H31N3O/c1-15(2)6-5-13(14(15)19)18-11-9-17(10-12-18)8-7-16(3)4/h13-14,19H,5-12H2,1-4H3
InChIKeyVGOAMZUASGCXCR-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.72
Rot. Bonds4

About 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79857725) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79857725
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol
SMILESCN(C)CCN1CCN(C2CCC(C)(C)C2O)CC1
InChIInChI=1S/C15H31N3O/c1-15(2)6-5-13(14(15)19)18-11-9-17(10-12-18)8-7-16(3)4/h13-14,19H,5-12H2,1-4H3
InChIKeyVGOAMZUASGCXCR-UHFFFAOYSA-N
XLogP0.72
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclohexan-1-amine
CID 79829186
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol
CID 79856347
5-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-ol
CID 79856703
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol
CID 62888663
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)cyclopentan-1-ol
CID 79857269
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 79935392
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
CID 62885728
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
6-(4-ethylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 79836829
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639637
methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate
CID 79648094

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol (CID 79857725) is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol is CN(C)CCN1CCN(C2CCC(C)(C)C2O)CC1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is VGOAMZUASGCXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2)6-5-13(14(15)19)18-11-9-17(10-12-18)8-7-16(3)4/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol?
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79857725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).