4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide

C19H35N3O2 — CID 119155727

IUPAC4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCC1O)N1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-20-19(21-13-16-7-4-8-18(16)23)22-11-9-17(10-12-22)24-14-15-5-2-3-6-15/h15-18,23H,2-14H2,1H3,(H,20,21)
InChIKeyQATIKLJTLYBTIG-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.39
Rot. Bonds5

About 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide

4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 119155727) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID119155727
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCC1O)N1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-20-19(21-13-16-7-4-8-18(16)23)22-11-9-17(10-12-22)24-14-15-5-2-3-6-15/h15-18,23H,2-14H2,1H3,(H,20,21)
InChIKeyQATIKLJTLYBTIG-UHFFFAOYSA-N
XLogP2.39
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
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

4-(cyclopentylmethoxy)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119156715
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 75482169
3-(diethylamino)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydrobromide
CID 146091761
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448407
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447941
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448762
4-(cyclopentylmethoxy)-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119163102
2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
N-[3-(cyclopropylmethoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447330
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N-[(1-ethylpiperidin-2-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450075

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide (CID 119155727) is 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide is C/N=C(\NCC1CCCC1O)N1CCC(OCC2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is QATIKLJTLYBTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-20-19(21-13-16-7-4-8-18(16)23)22-11-9-17(10-12-22)24-14-15-5-2-3-6-15/h15-18,23H,2-14H2,1H3,(H,20,21).
What are the key properties of 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide?
4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 337.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).