1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol

C14H32N4O — CID 64820717

IUPAC1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O/c1-13(11-14(2,19)12-15)18-9-7-17(8-10-18)6-5-16(3)4/h13,19H,5-12,15H2,1-4H3
InChIKeyJRZGRCAAQLODPL-UHFFFAOYSA-N
MW272.44 g/mol
LogP-0.35
Rot. Bonds7

About 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol

1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol (PubChem CID 64820717) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
PubChem CID64820717
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O/c1-13(11-14(2,19)12-15)18-9-7-17(8-10-18)6-5-16(3)4/h13,19H,5-12,15H2,1-4H3
InChIKeyJRZGRCAAQLODPL-UHFFFAOYSA-N
XLogP-0.35
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
CID 64705537
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64818490
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
CID 55128136
3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 67737589
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296194
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62886088
3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
CID 114357140
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol (CID 64820717) is 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol is CC(CC(C)(O)CN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol?
The InChIKey is JRZGRCAAQLODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-13(11-14(2,19)12-15)18-9-7-17(8-10-18)6-5-16(3)4/h13,19H,5-12,15H2,1-4H3.
What are the key properties of 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol?
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol has a molecular weight of 272.44 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 64820717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).