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

C12H28N4O — CID 64899649

IUPAC3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
SMILESCN(C)CCN1CCN(CC(N)CCO)CC1
InChIInChI=1S/C12H28N4O/c1-14(2)4-5-15-6-8-16(9-7-15)11-12(13)3-10-17/h12,17H,3-11,13H2,1-2H3
InChIKeyGEGTVFCYQHTVJO-UHFFFAOYSA-N
MW244.38 g/mol
LogP-1.12
Rot. Bonds7

About 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol

3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol (PubChem CID 64899649) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
PubChem CID64899649
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
SMILESCN(C)CCN1CCN(CC(N)CCO)CC1
InChIInChI=1S/C12H28N4O/c1-14(2)4-5-15-6-8-16(9-7-15)11-12(13)3-10-17/h12,17H,3-11,13H2,1-2H3
InChIKeyGEGTVFCYQHTVJO-UHFFFAOYSA-N
XLogP-1.12
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 63913476
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
CID 112561591
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
CID 114357140
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol (CID 64899649) is 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol is CN(C)CCN1CCN(CC(N)CCO)CC1.
What is the InChIKey of 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol?
The InChIKey is GEGTVFCYQHTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-14(2)4-5-15-6-8-16(9-7-15)11-12(13)3-10-17/h12,17H,3-11,13H2,1-2H3.
What are the key properties of 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol?
3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol has a molecular weight of 244.38 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64899649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).