1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine

C21H34N4O — CID 111084505

IUPAC1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
SMILESCOc1ccc(CN2CCC(C/N=C(\N)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H34N4O/c1-26-20-9-7-18(8-10-20)16-25-13-11-17(12-14-25)15-23-21(22)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H3,22,23,24)
InChIKeyHZUUIZCDALJTOS-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.14
Rot. Bonds6

About 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine

1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine (PubChem CID 111084505) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
PubChem CID111084505
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
SMILESCOc1ccc(CN2CCC(C/N=C(\N)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H34N4O/c1-26-20-9-7-18(8-10-20)16-25-13-11-17(12-14-25)15-23-21(22)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H3,22,23,24)
InChIKeyHZUUIZCDALJTOS-UHFFFAOYSA-N
XLogP3.14
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine (CID 111084505) is 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine is COc1ccc(CN2CCC(C/N=C(\N)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine?
The InChIKey is HZUUIZCDALJTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-26-20-9-7-18(8-10-20)16-25-13-11-17(12-14-25)15-23-21(22)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H3,22,23,24).
What are the key properties of 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine?
1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine has a molecular weight of 358.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine is sourced from PubChem (CID 111084505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).