methyl 4-(4-aminopiperidin-1-yl)butanoate

C10H20N2O2 — CID 43556647

IUPACmethyl 4-(4-aminopiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)3-2-6-12-7-4-9(11)5-8-12/h9H,2-8,11H2,1H3
InChIKeyXMVLUUNBMOTQAT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds4

About methyl 4-(4-aminopiperidin-1-yl)butanoate

methyl 4-(4-aminopiperidin-1-yl)butanoate (PubChem CID 43556647) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-(4-aminopiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-aminopiperidin-1-yl)butanoate
PubChem CID43556647
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-(4-aminopiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)3-2-6-12-7-4-9(11)5-8-12/h9H,2-8,11H2,1H3
InChIKeyXMVLUUNBMOTQAT-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
methyl 4-(azocan-1-yl)butanoate
CID 43377737
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
CID 61441517
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
methyl 4-(4-amino-2-methylpiperidin-1-yl)butanoate
CID 115313229
methyl 6-(4-ethynylpiperidin-1-yl)hexanoate
CID 168946344
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopiperidin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-aminopiperidin-1-yl)butanoate (CID 43556647) is methyl 4-(4-aminopiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-aminopiperidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-aminopiperidin-1-yl)butanoate is COC(=O)CCCN1CCC(N)CC1.
What is the InChIKey of methyl 4-(4-aminopiperidin-1-yl)butanoate?
The InChIKey is XMVLUUNBMOTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(13)3-2-6-12-7-4-9(11)5-8-12/h9H,2-8,11H2,1H3.
What are the key properties of methyl 4-(4-aminopiperidin-1-yl)butanoate?
methyl 4-(4-aminopiperidin-1-yl)butanoate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminopiperidin-1-yl)butanoate is sourced from PubChem (CID 43556647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).