methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate

C15H30N2O2 — CID 54920422

IUPACmethyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
SMILESCCCN1CCC(C(C)NCCCC(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-10-17-11-7-14(8-12-17)13(2)16-9-5-6-15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyJULWRUBEKHXYPX-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

About methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate

methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate (PubChem CID 54920422) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
PubChem CID54920422
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
SMILESCCCN1CCC(C(C)NCCCC(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-10-17-11-7-14(8-12-17)13(2)16-9-5-6-15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyJULWRUBEKHXYPX-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 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 ≤ 52.04
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

methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
CID 43307422
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate?
The IUPAC name of methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate (CID 54920422) is methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate?
The canonical SMILES for methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate is CCCN1CCC(C(C)NCCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate?
The InChIKey is JULWRUBEKHXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-10-17-11-7-14(8-12-17)13(2)16-9-5-6-15(18)19-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate?
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate is sourced from PubChem (CID 54920422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).