1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

C16H32N4O — CID 111965467

IUPAC1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CC2(CO)CC2)NCC)CC1
InChIInChI=1S/C16H32N4O/c1-3-9-20-10-5-14(6-11-20)19-15(17-4-2)18-12-16(13-21)7-8-16/h14,21H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyKCMHSFIXYGTOLV-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.19
Rot. Bonds7

About 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111965467) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111965467
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CC2(CO)CC2)NCC)CC1
InChIInChI=1S/C16H32N4O/c1-3-9-20-10-5-14(6-11-20)19-15(17-4-2)18-12-16(13-21)7-8-16/h14,21H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyKCMHSFIXYGTOLV-UHFFFAOYSA-N
XLogP1.19
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-[(3-methyloxetan-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111827119
1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111827217
1-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111510243
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019127
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111791545
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017357
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017664
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019470

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (CID 111965467) is 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/CC2(CO)CC2)NCC)CC1.
What is the InChIKey of 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is KCMHSFIXYGTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-9-20-10-5-14(6-11-20)19-15(17-4-2)18-12-16(13-21)7-8-16/h14,21H,3-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 296.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111965467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).