1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide

C18H35IN4O — CID 119155172

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC1O)NC1CCN(C2CCCC2)CC1.I
InChIInChI=1S/C18H34N4O.HI/c1-19-18(20-13-14-5-4-8-17(14)23)21-15-9-11-22(12-10-15)16-6-2-3-7-16;/h14-17,23H,2-13H2,1H3,(H2,19,20,21);1H
InChIKeyUIUSBQAPXLMTCX-UHFFFAOYSA-N
MW450.41 g/mol
LogP2.34
Rot. Bonds4

About 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide

1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 119155172) has the molecular formula C18H35IN4O and a molecular weight of 450.41 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID119155172
Molecular FormulaC18H35IN4O
Molecular Weight450.41 g/mol
Exact Mass450.19
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC1O)NC1CCN(C2CCCC2)CC1.I
InChIInChI=1S/C18H34N4O.HI/c1-19-18(20-13-14-5-4-8-17(14)23)21-15-9-11-22(12-10-15)16-6-2-3-7-16;/h14-17,23H,2-13H2,1H3,(H2,19,20,21);1H
InChIKeyUIUSBQAPXLMTCX-UHFFFAOYSA-N
XLogP2.34
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 52.34
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-(1-propylsulfonylpiperidin-4-yl)guanidine;hydroiodide
CID 119155160
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-[(2-hydroxycyclopentyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
CID 119155203
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394139
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
1-[1-(2-bromophenyl)pyrrolidin-3-yl]-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine
CID 119155451
1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 119150662
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119154337
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide (CID 119155172) is 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCC1CCCC1O)NC1CCN(C2CCCC2)CC1.I.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is UIUSBQAPXLMTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.HI/c1-19-18(20-13-14-5-4-8-17(14)23)21-15-9-11-22(12-10-15)16-6-2-3-7-16;/h14-17,23H,2-13H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 450.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119155172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).