1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine

C24H32N4 — CID 111558383

IUPAC1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(\NCC1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4/c1-25-24(26-17-21-16-23(21)20-10-6-3-7-11-20)27-22-12-14-28(15-13-22)18-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3,(H2,25,26,27)
InChIKeyNRHLQPVIKLBVNF-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.62
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine

1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine (PubChem CID 111558383) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
PubChem CID111558383
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(\NCC1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4/c1-25-24(26-17-21-16-23(21)20-10-6-3-7-11-20)27-22-12-14-28(15-13-22)18-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3,(H2,25,26,27)
InChIKeyNRHLQPVIKLBVNF-UHFFFAOYSA-N
XLogP3.62
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.62
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

2-methyl-1-[(2-phenylcyclopropyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111827231
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110985940
1-(1-benzylpiperidin-4-yl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 110986584
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110986461
1-(1-benzylpiperidin-4-yl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 110986480
1-(1-benzylpiperidin-4-yl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylguanidine;hydroiodide
CID 110987395
1-(1-benzylpiperidin-4-yl)-3-[(3-bromophenyl)methyl]-2-methylguanidine
CID 110986550
1-(1-benzylpiperidin-4-yl)-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 110985580
1-(1-benzylpiperidin-4-yl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110986775
1-(1-benzylpiperidin-4-yl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 110987566
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963989
1-(1-benzylpiperidin-4-yl)-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine
CID 111548947

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine (CID 111558383) is 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine is C/N=C(\NCC1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The InChIKey is NRHLQPVIKLBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-25-24(26-17-21-16-23(21)20-10-6-3-7-11-20)27-22-12-14-28(15-13-22)18-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine has a molecular weight of 376.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111558383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).