1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine

C14H30N4 — CID 110029362

IUPAC1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCCNC(=NCCC(C)N1CCCCC1)NCC
InChIInChI=1S/C14H30N4/c1-4-15-14(16-5-2)17-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyBBWPUFPVKBPOJP-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.83
Rot. Bonds6

About 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine

1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine (PubChem CID 110029362) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
PubChem CID110029362
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCCNC(=NCCC(C)N1CCCCC1)NCC
InChIInChI=1S/C14H30N4/c1-4-15-14(16-5-2)17-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyBBWPUFPVKBPOJP-UHFFFAOYSA-N
XLogP1.83
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355
1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032404
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
2-[2-(azepan-1-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 111000765
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111415597
1-ethyl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474564
1-ethyl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343670
1-[2-(furan-2-yl)ethyl]-2-(3-piperidin-1-ylbutyl)-3-prop-2-enylguanidine;hydroiodide
CID 136701240
1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
CID 111849107
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320017
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine (CID 110029362) is 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine is CCNC(=NCCC(C)N1CCCCC1)NCC.
What is the InChIKey of 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The InChIKey is BBWPUFPVKBPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-15-14(16-5-2)17-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110029362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).