ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate

C15H30N2O2 — CID 114961425

IUPACethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCC(C)C(CN)C1
InChIInChI=1S/C15H30N2O2/c1-3-19-15(18)7-5-4-6-9-17-10-8-13(2)14(11-16)12-17/h13-14H,3-12,16H2,1-2H3
InChIKeyFJCAQZLHTKFXKQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds8

About ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate

ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate (PubChem CID 114961425) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
PubChem CID114961425
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCC(C)C(CN)C1
InChIInChI=1S/C15H30N2O2/c1-3-19-15(18)7-5-4-6-9-17-10-8-13(2)14(11-16)12-17/h13-14H,3-12,16H2,1-2H3
InChIKeyFJCAQZLHTKFXKQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
ethyl 5-[(2R)-2-methylthiomorpholin-4-yl]pentanoate
CID 97215475
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114876496
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]hexanoate
CID 114042473
[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]methanamine
CID 114961318

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate?
The IUPAC name of ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate (CID 114961425) is ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate.
What is the SMILES notation for ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate?
The canonical SMILES for ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate is CCOC(=O)CCCCCN1CCC(C)C(CN)C1.
What is the InChIKey of ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate?
The InChIKey is FJCAQZLHTKFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-19-15(18)7-5-4-6-9-17-10-8-13(2)14(11-16)12-17/h13-14H,3-12,16H2,1-2H3.
What are the key properties of ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate?
ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate has a molecular weight of 270.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate is sourced from PubChem (CID 114961425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).