1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

C20H32N4 — CID 111047028

IUPAC1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCC1CCN(Cc2ccc(C/N=C(\N)NCC3CCC3)cc2)CC1
InChIInChI=1S/C20H32N4/c1-16-9-11-24(12-10-16)15-19-7-5-18(6-8-19)14-23-20(21)22-13-17-3-2-4-17/h5-8,16-17H,2-4,9-15H2,1H3,(H3,21,22,23)
InChIKeyAOTYJSBQMADQNP-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.12
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111047028) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
PubChem CID111047028
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCC1CCN(Cc2ccc(C/N=C(\N)NCC3CCC3)cc2)CC1
InChIInChI=1S/C20H32N4/c1-16-9-11-24(12-10-16)15-19-7-5-18(6-8-19)14-23-20(21)22-13-17-3-2-4-17/h5-8,16-17H,2-4,9-15H2,1H3,(H3,21,22,23)
InChIKeyAOTYJSBQMADQNP-UHFFFAOYSA-N
XLogP3.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.12
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-(cyclobutylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036389
1-(cyclobutylmethyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111048779
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816
1-(3,4-dimethoxyphenyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047020
1-(cyclobutylmethyl)-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 111068517
1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111082843
2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047400
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-(cyclobutylmethyl)-2-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111089846
1-ethyl-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125333
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (CID 111047028) is 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is CC1CCN(Cc2ccc(C/N=C(\N)NCC3CCC3)cc2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is AOTYJSBQMADQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-16-9-11-24(12-10-16)15-19-7-5-18(6-8-19)14-23-20(21)22-13-17-3-2-4-17/h5-8,16-17H,2-4,9-15H2,1H3,(H3,21,22,23).
What are the key properties of 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 328.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111047028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).