methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate

C13H26N2O2 — CID 106632589

IUPACmethyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
SMILESCCN(CC1CCCCN1)C(C)CC(=O)OC
InChIInChI=1S/C13H26N2O2/c1-4-15(11(2)9-13(16)17-3)10-12-7-5-6-8-14-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVMXHILKLCSSYMD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate

methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate (PubChem CID 106632589) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
PubChem CID106632589
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
SMILESCCN(CC1CCCCN1)C(C)CC(=O)OC
InChIInChI=1S/C13H26N2O2/c1-4-15(11(2)9-13(16)17-3)10-12-7-5-6-8-14-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVMXHILKLCSSYMD-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
CID 106622534
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid
CID 106632468
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603489
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(azocan-2-yl)acetate
CID 86040521
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate?
The IUPAC name of methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate (CID 106632589) is methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate is CCN(CC1CCCCN1)C(C)CC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate?
The InChIKey is VMXHILKLCSSYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(11(2)9-13(16)17-3)10-12-7-5-6-8-14-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate?
methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate is sourced from PubChem (CID 106632589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).