1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine

C19H34N6O — CID 119152691

IUPAC1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
SMILESCCN/C(=N\CC1(O)CCCCC1)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C19H34N6O/c1-3-20-18(21-15-19(26)9-5-4-6-10-19)23-16-8-7-11-25(13-16)17-12-22-24(2)14-17/h12,14,16,26H,3-11,13,15H2,1-2H3,(H2,20,21,23)
InChIKeyFALRDQFVIQYTDO-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.64
Rot. Bonds5

About 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine

1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine (PubChem CID 119152691) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
PubChem CID119152691
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
SMILESCCN/C(=N\CC1(O)CCCCC1)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C19H34N6O/c1-3-20-18(21-15-19(26)9-5-4-6-10-19)23-16-8-7-11-25(13-16)17-12-22-24(2)14-17/h12,14,16,26H,3-11,13,15H2,1-2H3,(H2,20,21,23)
InChIKeyFALRDQFVIQYTDO-UHFFFAOYSA-N
XLogP1.64
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1-hydroxycyclopentyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 111995439
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine
CID 111995287
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111995405
2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 119157214
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152
N-[2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111997336
2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111995591
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111833833
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 109463949
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 111995448
1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111995608
1-[1-(2-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111994831

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine (CID 119152691) is 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine is CCN/C(=N\CC1(O)CCCCC1)NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
The InChIKey is FALRDQFVIQYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-3-20-18(21-15-19(26)9-5-4-6-10-19)23-16-8-7-11-25(13-16)17-12-22-24(2)14-17/h12,14,16,26H,3-11,13,15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine?
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine has a molecular weight of 362.52 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine is sourced from PubChem (CID 119152691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).