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

C14H32N4O — CID 114357140

IUPAC3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O/c1-12(2)14(15)13(11-19)18-9-7-17(8-10-18)6-5-16(3)4/h12-14,19H,5-11,15H2,1-4H3
InChIKeyDSYUHERSRKSIGY-UHFFFAOYSA-N
MW272.44 g/mol
LogP-0.49
Rot. Bonds7

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

3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol (PubChem CID 114357140) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
PubChem CID114357140
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O/c1-12(2)14(15)13(11-19)18-9-7-17(8-10-18)6-5-16(3)4/h12-14,19H,5-11,15H2,1-4H3
InChIKeyDSYUHERSRKSIGY-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
CID 64899649
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
CID 55128136
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 62890381
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
CID 64705537
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol (CID 114357140) is 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol is CC(C)C(N)C(CO)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol?
The InChIKey is DSYUHERSRKSIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-12(2)14(15)13(11-19)18-9-7-17(8-10-18)6-5-16(3)4/h12-14,19H,5-11,15H2,1-4H3.
What are the key properties of 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol?
3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol has a molecular weight of 272.44 g/mol, XLogP of -0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol is sourced from PubChem (CID 114357140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).