3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol

C14H30N2O — CID 103783971

IUPAC3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
SMILESCC(C)CN1CCC(NCC(O)C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)10-16-7-5-13(6-8-16)15-9-14(17)12(3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyJMLKTTDZYJAJQV-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds6

About 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol

3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol (PubChem CID 103783971) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
PubChem CID103783971
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
SMILESCC(C)CN1CCC(NCC(O)C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)10-16-7-5-13(6-8-16)15-9-14(17)12(3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyJMLKTTDZYJAJQV-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
CID 115689315
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol (CID 103783971) is 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol is CC(C)CN1CCC(NCC(O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol?
The InChIKey is JMLKTTDZYJAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)10-16-7-5-13(6-8-16)15-9-14(17)12(3)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol?
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 103783971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).