N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C14H22ClN5O — CID 172853409

IUPACN'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/c1cccc(CO)c1)N1CCCCC1
InChIInChI=1S/C14H21N5O.ClH/c15-13(17-12-6-4-5-11(9-12)10-20)18-14(16)19-7-2-1-3-8-19;/h4-6,9,20H,1-3,7-8,10H2,(H4,15,16,17,18);1H
InChIKeyYJJRWVVZTPRRST-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.35
Rot. Bonds2

About N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 172853409) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID172853409
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC NameN'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/c1cccc(CO)c1)N1CCCCC1
InChIInChI=1S/C14H21N5O.ClH/c15-13(17-12-6-4-5-11(9-12)10-20)18-14(16)19-7-2-1-3-8-19;/h4-6,9,20H,1-3,7-8,10H2,(H4,15,16,17,18);1H
InChIKeyYJJRWVVZTPRRST-UHFFFAOYSA-N
XLogP1.35
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.35
H-Bond Donors ≤ 53
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'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]methyl-triphenylphosphanium chloride
CID 158062986
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
CID 172751827
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 172853409) is N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is Cl.NC(=N/C(N)=N/c1cccc(CO)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is YJJRWVVZTPRRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c15-13(17-12-6-4-5-11(9-12)10-20)18-14(16)19-7-2-1-3-8-19;/h4-6,9,20H,1-3,7-8,10H2,(H4,15,16,17,18);1H.
What are the key properties of N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 172853409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).