2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine

C22H43N5O — CID 111003367

IUPAC2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NCC1CCCN(C(C)C)C1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H43N5O/c1-19(2)26-11-7-8-20(17-26)16-24-21(23-3)25-18-22(9-5-4-6-10-22)27-12-14-28-15-13-27/h19-20H,4-18H2,1-3H3,(H2,23,24,25)
InChIKeyBQZHUEVQEMVPMJ-UHFFFAOYSA-N
MW393.62 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine

2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 111003367) has the molecular formula C22H43N5O and a molecular weight of 393.62 g/mol. Its IUPAC name is 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID111003367
Molecular FormulaC22H43N5O
Molecular Weight393.62 g/mol
Exact Mass393.35
IUPAC Name2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NCC1CCCN(C(C)C)C1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H43N5O/c1-19(2)26-11-7-8-20(17-26)16-24-21(23-3)25-18-22(9-5-4-6-10-22)27-12-14-28-15-13-27/h19-20H,4-18H2,1-3H3,(H2,23,24,25)
InChIKeyBQZHUEVQEMVPMJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003257
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003939
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111003183
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109470017
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004488
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111826885
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 119148717
1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110916701
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111138282
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003268
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (CID 111003367) is 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is C/N=C(\NCC1CCCN(C(C)C)C1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is BQZHUEVQEMVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O/c1-19(2)26-11-7-8-20(17-26)16-24-21(23-3)25-18-22(9-5-4-6-10-22)27-12-14-28-15-13-27/h19-20H,4-18H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 393.62 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111003367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).