N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide

C21H29N5 — CID 111097205

IUPACN-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CCCCNc2ccccn2)N2CCCCC2)cc1
InChIInChI=1S/C21H29N5/c1-3-11-19(12-4-1)25-21(26-17-9-2-10-18-26)24-16-8-7-15-23-20-13-5-6-14-22-20/h1,3-6,11-14H,2,7-10,15-18H2,(H,22,23)(H,24,25)
InChIKeyGHYUKNKHCPCYLD-UHFFFAOYSA-N
MW351.50 g/mol
LogP4.23
Rot. Bonds7

About N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide

N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide (PubChem CID 111097205) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
PubChem CID111097205
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/CCCCNc2ccccn2)N2CCCCC2)cc1
InChIInChI=1S/C21H29N5/c1-3-11-19(12-4-1)25-21(26-17-9-2-10-18-26)24-16-8-7-15-23-20-13-5-6-14-22-20/h1,3-6,11-14H,2,7-10,15-18H2,(H,22,23)(H,24,25)
InChIKeyGHYUKNKHCPCYLD-UHFFFAOYSA-N
XLogP4.23
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
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-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
methyl 1-[N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252134
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250
N-ethyl-3,3-dimethyl-N'-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738921
N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947287
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111600134
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide?
The IUPAC name of N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide (CID 111097205) is N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide?
The canonical SMILES for N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide is c1ccc(N/C(=N/CCCCNc2ccccn2)N2CCCCC2)cc1.
What is the InChIKey of N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide?
The InChIKey is GHYUKNKHCPCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-3-11-19(12-4-1)25-21(26-17-9-2-10-18-26)24-16-8-7-15-23-20-13-5-6-14-22-20/h1,3-6,11-14H,2,7-10,15-18H2,(H,22,23)(H,24,25).
What are the key properties of N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide?
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide has a molecular weight of 351.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111097205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).