3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol

C10H23N3O2 — CID 114356429

IUPAC3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCN(C)CC1
InChIInChI=1S/C10H23N3O2/c1-12-3-5-13(6-4-12)10(7-14)9(11)8-15-2/h9-10,14H,3-8,11H2,1-2H3
InChIKeyWUVVRHBBMNDRSJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.43
Rot. Bonds5

About 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol

3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol (PubChem CID 114356429) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
PubChem CID114356429
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCN(C)CC1
InChIInChI=1S/C10H23N3O2/c1-12-3-5-13(6-4-12)10(7-14)9(11)8-15-2/h9-10,14H,3-8,11H2,1-2H3
InChIKeyWUVVRHBBMNDRSJ-UHFFFAOYSA-N
XLogP-1.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
CID 114356433
3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
CID 114357161
3-amino-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-ol
CID 104840298
3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 114356774
3-amino-4-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 114357377
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
CID 114357613
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 114356519
(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
CID 129298588
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
CID 114356735
3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-1-ol
CID 114357593
3-methoxy-2-(4-methylpiperazin-1-yl)propanenitrile
CID 130166847

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol (CID 114356429) is 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol is COCC(N)C(CO)N1CCN(C)CC1.
What is the InChIKey of 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol?
The InChIKey is WUVVRHBBMNDRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-12-3-5-13(6-4-12)10(7-14)9(11)8-15-2/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol?
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of -1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 114356429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).