N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide

C22H36N4O — CID 111752022

IUPACN'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4O/c1-19-7-5-13-26(17-19)22(23)24-12-6-16-27-21-10-14-25(15-11-21)18-20-8-3-2-4-9-20/h2-4,8-9,19,21H,5-7,10-18H2,1H3,(H2,23,24)
InChIKeyDNTIZUMWHBRFQH-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.10
Rot. Bonds7

About N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide

N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111752022) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111752022
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4O/c1-19-7-5-13-26(17-19)22(23)24-12-6-16-27-21-10-14-25(15-11-21)18-20-8-3-2-4-9-20/h2-4,8-9,19,21H,5-7,10-18H2,1H3,(H2,23,24)
InChIKeyDNTIZUMWHBRFQH-UHFFFAOYSA-N
XLogP3.10
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]thiomorpholine-4-carboximidamide
CID 111751994
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
CID 111751948
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,1-diethylguanidine
CID 111751982
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
CID 110031013
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
CID 111751952
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111751974

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide (CID 111752022) is N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCCOC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is DNTIZUMWHBRFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-19-7-5-13-26(17-19)22(23)24-12-6-16-27-21-10-14-25(15-11-21)18-20-8-3-2-4-9-20/h2-4,8-9,19,21H,5-7,10-18H2,1H3,(H2,23,24).
What are the key properties of N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide?
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 372.56 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111752022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).