1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine

C14H30N4 — CID 110917818

IUPAC1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(CN=C(NCC)NCC)CC1
InChIInChI=1S/C14H30N4/c1-4-9-18-10-7-13(8-11-18)12-17-14(15-5-2)16-6-3/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyWNYNTBJJQRTCTA-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.68
Rot. Bonds6

About 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine

1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine (PubChem CID 110917818) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
PubChem CID110917818
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(CN=C(NCC)NCC)CC1
InChIInChI=1S/C14H30N4/c1-4-9-18-10-7-13(8-11-18)12-17-14(15-5-2)16-6-3/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyWNYNTBJJQRTCTA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-ethyl-3-hexyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111160757
1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111124097
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111387565
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111188083
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111190257
1-(4-ethoxybutyl)-3-ethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111945706
N,N-diethyl-3-[[N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]carbamimidoyl]amino]propanamide
CID 111942127
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111136824
1-ethyl-3-(2-piperidin-1-ylethyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111415532
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111229917
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111401796
1-ethyl-2-[(1-propylpiperidin-4-yl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905908

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine (CID 110917818) is 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine is CCCN1CCC(CN=C(NCC)NCC)CC1.
What is the InChIKey of 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The InChIKey is WNYNTBJJQRTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-9-18-10-7-13(8-11-18)12-17-14(15-5-2)16-6-3/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.68, 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-[(1-propylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 110917818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).