1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol

C14H31N3O — CID 65450384

IUPAC1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCC(N(C)CC(O)CN1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)10-13(18)11-17-8-6-15-7-9-17/h12-13,15,18H,6-11H2,1-5H3
InChIKeyPCSXDEGEBWTMRQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.62
Rot. Bonds5

About 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65450384) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65450384
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCC(N(C)CC(O)CN1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)10-13(18)11-17-8-6-15-7-9-17/h12-13,15,18H,6-11H2,1-5H3
InChIKeyPCSXDEGEBWTMRQ-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 81055538
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450385
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448121

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65450384) is 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol is CC(N(C)CC(O)CN1CCNCC1)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is PCSXDEGEBWTMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)10-13(18)11-17-8-6-15-7-9-17/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65450384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).