4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol

C14H28N2O — CID 79354897

IUPAC4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJJKDDIZCMHEHPR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds6

About 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol

4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79354897) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID79354897
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJJKDDIZCMHEHPR-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
N-[[1-(methoxymethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 65365085
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 107912652
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol (CID 79354897) is 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCN1CCCC(CNC2CC2)C1.
What is the InChIKey of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is JJKDDIZCMHEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79354897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).