1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine

C17H28N4O — CID 111991341

IUPAC1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine
SMILESCCN/C(=N\CCO)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N4O/c1-2-18-17(19-10-12-22)20-16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,22H,2,6,9-14H2,1H3,(H2,18,19,20)
InChIKeyDGDGMTPUKRBBBB-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.20
Rot. Bonds6

About 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine

1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine (PubChem CID 111991341) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine
PubChem CID111991341
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine
SMILESCCN/C(=N\CCO)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N4O/c1-2-18-17(19-10-12-22)20-16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,22H,2,6,9-14H2,1H3,(H2,18,19,20)
InChIKeyDGDGMTPUKRBBBB-UHFFFAOYSA-N
XLogP1.20
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.20
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-(1-benzylpiperidin-3-yl)-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111993120
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110987259
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110985851
1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
CID 116510957
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-[3-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propyl]piperidine-3-carboxamide
CID 110986288
2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 110986260
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 110986373
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-4-yl)-2-[2-(tert-butylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 111759420
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 110986774
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 110986002

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine (CID 111991341) is 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine is CCN/C(=N\CCO)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine?
The InChIKey is DGDGMTPUKRBBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-18-17(19-10-12-22)20-16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,22H,2,6,9-14H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine?
1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine has a molecular weight of 304.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 111991341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).