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

C13H29N3O — CID 62888141

IUPAC5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
SMILESCC(O)CCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-13(17)5-4-6-15-9-11-16(12-10-15)8-7-14(2)3/h13,17H,4-12H2,1-3H3
InChIKeyNUKGXTPMMSZCPM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.33
Rot. Bonds7

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

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol (PubChem CID 62888141) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
PubChem CID62888141
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
SMILESCC(O)CCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-13(17)5-4-6-15-9-11-16(12-10-15)8-7-14(2)3/h13,17H,4-12H2,1-3H3
InChIKeyNUKGXTPMMSZCPM-UHFFFAOYSA-N
XLogP0.33
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
CID 62886982
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 55140389
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
CID 112561591
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
CID 63635754
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol (CID 62888141) is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol is CC(O)CCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol?
The InChIKey is NUKGXTPMMSZCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(17)5-4-6-15-9-11-16(12-10-15)8-7-14(2)3/h13,17H,4-12H2,1-3H3.
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol?
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.33, 7 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]pentan-2-ol is sourced from PubChem (CID 62888141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).