[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate

C11H22N2O2 — CID 174820654

IUPAC[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CN)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-11(8-12)4-6-13-7-5-11/h13H,4-8,12H2,1-3H3
InChIKeyZLWVYHSOTRFWHO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds2

About [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate

[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174820654) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174820654
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CN)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-11(8-12)4-6-13-7-5-11/h13H,4-8,12H2,1-3H3
InChIKeyZLWVYHSOTRFWHO-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174634741
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174695662
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174970057
(4-methoxyazepan-4-yl)methanamine
CID 105431048
ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate
CID 62397603
(3-methoxypyrrolidin-3-yl)methanamine
CID 19694993
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
(4-ethylpiperidin-4-yl) 2-sulfanylacetate
CID 168757853
(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
CID 174587762
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
4-(1-amino-2-methylpropan-2-yl)piperidin-4-ol
CID 79136037

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate (CID 174820654) is [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(CN)CCNCC1.
What is the InChIKey of [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is ZLWVYHSOTRFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-11(8-12)4-6-13-7-5-11/h13H,4-8,12H2,1-3H3.
What are the key properties of [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate?
[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174820654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).