4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

C18H28N4 — CID 110919195

IUPAC4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H28N4/c1-15-7-10-21(11-8-15)18(19)20-13-16-9-12-22(14-16)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H2,19,20)
InChIKeyJQRCHECKKGURMQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (PubChem CID 110919195) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
PubChem CID110919195
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H28N4/c1-15-7-10-21(11-8-15)18(19)20-13-16-9-12-22(14-16)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H2,19,20)
InChIKeyJQRCHECKKGURMQ-UHFFFAOYSA-N
XLogP2.56
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
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

1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methylpiperidine-1-carboximidamide
CID 111549361
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065722
N'-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111084722
N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092631
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
ethane;4-methyl-1-phenylpiperidine
CID 143180672

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (CID 110919195) is 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC2CCN(c3ccccc3)C2)CC1.
What is the InChIKey of 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is JQRCHECKKGURMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-7-10-21(11-8-15)18(19)20-13-16-9-12-22(14-16)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H2,19,20).
What are the key properties of 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 300.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110919195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).