2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine

C9H21N5 — CID 123297716

IUPAC2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine
SMILESCNCCN1CCC(N=C(N)N)CC1
InChIInChI=1S/C9H21N5/c1-12-4-7-14-5-2-8(3-6-14)13-9(10)11/h8,12H,2-7H2,1H3,(H4,10,11,13)
InChIKeyJXYLYEMMWUFDQQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.06
Rot. Bonds4

About 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine

2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine (PubChem CID 123297716) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine.

Molecular Properties

Compound Name2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine
PubChem CID123297716
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine
SMILESCNCCN1CCC(N=C(N)N)CC1
InChIInChI=1S/C9H21N5/c1-12-4-7-14-5-2-8(3-6-14)13-9(10)11/h8,12H,2-7H2,1H3,(H4,10,11,13)
InChIKeyJXYLYEMMWUFDQQ-UHFFFAOYSA-N
XLogP-1.06
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
N-methyl-2-piperazin-4-ium-1-ylethanamine
CID 18962734
1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
CID 55064114
1-cyclopentyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 55063922
1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 176546957
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
CID 166901369
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine?
The IUPAC name of 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine (CID 123297716) is 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine.
What is the SMILES notation for 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine?
The canonical SMILES for 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine is CNCCN1CCC(N=C(N)N)CC1.
What is the InChIKey of 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine?
The InChIKey is JXYLYEMMWUFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-12-4-7-14-5-2-8(3-6-14)13-9(10)11/h8,12H,2-7H2,1H3,(H4,10,11,13).
What are the key properties of 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine?
2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine has a molecular weight of 199.30 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine is sourced from PubChem (CID 123297716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).