ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate

C14H26N2O2 — CID 142495401

IUPACethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(CN2CCC(CN)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)13-7-12(8-13)10-16-5-3-11(9-15)4-6-16/h11-13H,2-10,15H2,1H3
InChIKeySKTXSTNSBQJRBX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.25
Rot. Bonds5

About ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate

ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate (PubChem CID 142495401) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
PubChem CID142495401
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(CN2CCC(CN)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)13-7-12(8-13)10-16-5-3-11(9-15)4-6-16/h11-13H,2-10,15H2,1H3
InChIKeySKTXSTNSBQJRBX-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
CID 99785632
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CID 163375972
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 167433190
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate (CID 142495401) is ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate is CCOC(=O)C1CC(CN2CCC(CN)CC2)C1.
What is the InChIKey of ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The InChIKey is SKTXSTNSBQJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-14(17)13-7-12(8-13)10-16-5-3-11(9-15)4-6-16/h11-13H,2-10,15H2,1H3.
What are the key properties of ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate?
ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 142495401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).