(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol

C9H21N3O — CID 130492464

IUPAC(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
SMILESCC1CN(C[C@@H](O)CN)CCN1C
InChIInChI=1S/C9H21N3O/c1-8-6-12(4-3-11(8)2)7-9(13)5-10/h8-9,13H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyMBJMTOOJGITTQO-GKAPJAKFSA-N
MW187.29 g/mol
LogP-1.06
Rot. Bonds3

About (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol

(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol (PubChem CID 130492464) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
PubChem CID130492464
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
SMILESCC1CN(C[C@@H](O)CN)CCN1C
InChIInChI=1S/C9H21N3O/c1-8-6-12(4-3-11(8)2)7-9(13)5-10/h8-9,13H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyMBJMTOOJGITTQO-GKAPJAKFSA-N
XLogP-1.06
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol (CID 130492464) is (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol is CC1CN(C[C@@H](O)CN)CCN1C.
What is the InChIKey of (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol?
The InChIKey is MBJMTOOJGITTQO-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8-6-12(4-3-11(8)2)7-9(13)5-10/h8-9,13H,3-7,10H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol?
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol has a molecular weight of 187.29 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 130492464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).