N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide

C17H26N4 — CID 63009752

IUPACN'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H26N4/c18-17(19-16-6-2-1-3-7-16)21-12-8-15(9-13-21)14-20-10-4-5-11-20/h1-3,6-7,15H,4-5,8-14H2,(H2,18,19)
InChIKeyMTCMQHGJHCPEQR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.44
Rot. Bonds3

About N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide

N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide (PubChem CID 63009752) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide
PubChem CID63009752
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H26N4/c18-17(19-16-6-2-1-3-7-16)21-12-8-15(9-13-21)14-20-10-4-5-11-20/h1-3,6-7,15H,4-5,8-14H2,(H2,18,19)
InChIKeyMTCMQHGJHCPEQR-UHFFFAOYSA-N
XLogP2.44
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide (CID 63009752) is N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide is N/C(=N\c1ccccc1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is MTCMQHGJHCPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-17(19-16-6-2-1-3-7-16)21-12-8-15(9-13-21)14-20-10-4-5-11-20/h1-3,6-7,15H,4-5,8-14H2,(H2,18,19).
What are the key properties of N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide?
N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 286.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 63009752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).