1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

C17H35N3O2 — CID 110899952

IUPAC1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)(C)CCN1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O2/c1-17(2,3)4-5-18-6-8-19(9-7-18)14-16(21)15-20-10-12-22-13-11-20/h16,21H,4-15H2,1-3H3
InChIKeyDFXCYGLRTGWIMJ-UHFFFAOYSA-N
MW313.49 g/mol
LogP0.73
Rot. Bonds6

About 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110899952) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID110899952
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)(C)CCN1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C17H35N3O2/c1-17(2,3)4-5-18-6-8-19(9-7-18)14-16(21)15-20-10-12-22-13-11-20/h16,21H,4-15H2,1-3H3
InChIKeyDFXCYGLRTGWIMJ-UHFFFAOYSA-N
XLogP0.73
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
CID 142476457
4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 158128158
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 110899952) is 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is CC(C)(C)CCN1CCN(CC(O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is DFXCYGLRTGWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-17(2,3)4-5-18-6-8-19(9-7-18)14-16(21)15-20-10-12-22-13-11-20/h16,21H,4-15H2,1-3H3.
What are the key properties of 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110899952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).