1-(methylamino)-3-piperazin-1-ylpropan-2-ol

C8H19N3O — CID 15255603

IUPAC1-(methylamino)-3-piperazin-1-ylpropan-2-ol
SMILESCNCC(O)CN1CCNCC1
InChIInChI=1S/C8H19N3O/c1-9-6-8(12)7-11-4-2-10-3-5-11/h8-10,12H,2-7H2,1H3
InChIKeyDQLDLZPHRGFZJJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.53
Rot. Bonds4

About 1-(methylamino)-3-piperazin-1-ylpropan-2-ol

1-(methylamino)-3-piperazin-1-ylpropan-2-ol (PubChem CID 15255603) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(methylamino)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-piperazin-1-ylpropan-2-ol
PubChem CID15255603
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(methylamino)-3-piperazin-1-ylpropan-2-ol
SMILESCNCC(O)CN1CCNCC1
InChIInChI=1S/C8H19N3O/c1-9-6-8(12)7-11-4-2-10-3-5-11/h8-10,12H,2-7H2,1H3
InChIKeyDQLDLZPHRGFZJJ-UHFFFAOYSA-N
XLogP-1.53
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 810604
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
CID 126476628
1-butan-2-ylsulfanyl-3-piperazin-1-ylpropan-2-ol
CID 65449840
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol
CID 59036687
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(methylamino)-3-piperazin-1-ylpropan-2-ol (CID 15255603) is 1-(methylamino)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-piperazin-1-ylpropan-2-ol is CNCC(O)CN1CCNCC1.
What is the InChIKey of 1-(methylamino)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is DQLDLZPHRGFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-9-6-8(12)7-11-4-2-10-3-5-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-(methylamino)-3-piperazin-1-ylpropan-2-ol?
1-(methylamino)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 173.26 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 15255603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).