N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide

C20H30N4 — CID 111065646

IUPACN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CC2CCN(C3CC3)C2)N2CCCCC2)cc1
InChIInChI=1S/C20H30N4/c1-3-7-18(8-4-1)22-20(23-12-5-2-6-13-23)21-15-17-11-14-24(16-17)19-9-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,22)
InChIKeyDBCHYIVUXNXJAM-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.42
Rot. Bonds4

About N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111065646) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111065646
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CC2CCN(C3CC3)C2)N2CCCCC2)cc1
InChIInChI=1S/C20H30N4/c1-3-7-18(8-4-1)22-20(23-12-5-2-6-13-23)21-15-17-11-14-24(16-17)19-9-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,22)
InChIKeyDBCHYIVUXNXJAM-UHFFFAOYSA-N
XLogP3.42
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.42
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

N'-[(1,1-dioxothian-4-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 109468009
N-phenyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111065449
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111065625
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947218
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205702

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide (CID 111065646) is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide is c1ccc(N/C(=N/CC2CCN(C3CC3)C2)N2CCCCC2)cc1.
What is the InChIKey of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is DBCHYIVUXNXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-7-18(8-4-1)22-20(23-12-5-2-6-13-23)21-15-17-11-14-24(16-17)19-9-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,22).
What are the key properties of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 326.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111065646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).