1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C21H34N4O — CID 134092019

IUPAC1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCC1CCCCN1CCC/N=C(/Nc1cccc(O)c1)NC1CCCC1
InChIInChI=1S/C21H34N4O/c1-17-8-4-5-14-25(17)15-7-13-22-21(23-18-9-2-3-10-18)24-19-11-6-12-20(26)16-19/h6,11-12,16-18,26H,2-5,7-10,13-15H2,1H3,(H2,22,23,24)
InChIKeyWDXVVOBCBNHNIS-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.96
Rot. Bonds6

About 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 134092019) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID134092019
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCC1CCCCN1CCC/N=C(/Nc1cccc(O)c1)NC1CCCC1
InChIInChI=1S/C21H34N4O/c1-17-8-4-5-14-25(17)15-7-13-22-21(23-18-9-2-3-10-18)24-19-11-6-12-20(26)16-19/h6,11-12,16-18,26H,2-5,7-10,13-15H2,1H3,(H2,22,23,24)
InChIKeyWDXVVOBCBNHNIS-UHFFFAOYSA-N
XLogP3.96
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methylpiperidin-1-yl)propyl]phenol
CID 82187955
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-[(1S,2S)-2-aminocyclohexyl]-3-(2,4-dichlorophenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 134091807
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134121687
N-cyclohexyl-3-[[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111370438
N-[2-[[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
CID 111370327
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909963
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 134092019) is 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is CC1CCCCN1CCC/N=C(/Nc1cccc(O)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is WDXVVOBCBNHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17-8-4-5-14-25(17)15-7-13-22-21(23-18-9-2-3-10-18)24-19-11-6-12-20(26)16-19/h6,11-12,16-18,26H,2-5,7-10,13-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 358.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 134092019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).