N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide

C18H30N4 — CID 111051112

IUPACN'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCN(CC)Cc1cccc(C/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C18H30N4/c1-3-21(4-2)15-17-10-8-9-16(13-17)14-20-18(19)22-11-6-5-7-12-22/h8-10,13H,3-7,11-12,14-15H2,1-2H3,(H2,19,20)
InChIKeyBTJWPIYZSXRMOK-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.83
Rot. Bonds6

About N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide

N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111051112) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111051112
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCN(CC)Cc1cccc(C/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C18H30N4/c1-3-21(4-2)15-17-10-8-9-16(13-17)14-20-18(19)22-11-6-5-7-12-22/h8-10,13H,3-7,11-12,14-15H2,1-2H3,(H2,19,20)
InChIKeyBTJWPIYZSXRMOK-UHFFFAOYSA-N
XLogP2.83
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.83
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'-[[3-(diethylaminomethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111051107
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026746
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111052786
2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047854
tert-butyl 4-[N'-[[3-[(dimethylamino)methyl]phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111064481
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111051054
N'-[[3-(oxan-4-yloxymethyl)phenyl]methyl]azepane-1-carboximidamide
CID 86779296
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide (CID 111051112) is N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide is CCN(CC)Cc1cccc(C/N=C(\N)N2CCCCC2)c1.
What is the InChIKey of N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is BTJWPIYZSXRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-3-21(4-2)15-17-10-8-9-16(13-17)14-20-18(19)22-11-6-5-7-12-22/h8-10,13H,3-7,11-12,14-15H2,1-2H3,(H2,19,20).
What are the key properties of N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide?
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 302.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111051112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).