2-[[(2S)-piperidin-2-yl]methyl]guanidine

C7H16N4 — CID 129452487

IUPAC2-[[(2S)-piperidin-2-yl]methyl]guanidine
SMILESNC(N)=NC[C@@H]1CCCCN1
InChIInChI=1S/C7H16N4/c8-7(9)11-5-6-3-1-2-4-10-6/h6,10H,1-5H2,(H4,8,9,11)/t6-/m0/s1
InChIKeyYKTATPQJSNEWPX-LURJTMIESA-N
MW156.23 g/mol
LogP-0.60
Rot. Bonds2

About 2-[[(2S)-piperidin-2-yl]methyl]guanidine

2-[[(2S)-piperidin-2-yl]methyl]guanidine (PubChem CID 129452487) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[[(2S)-piperidin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[(2S)-piperidin-2-yl]methyl]guanidine
PubChem CID129452487
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-[[(2S)-piperidin-2-yl]methyl]guanidine
SMILESNC(N)=NC[C@@H]1CCCCN1
InChIInChI=1S/C7H16N4/c8-7(9)11-5-6-3-1-2-4-10-6/h6,10H,1-5H2,(H4,8,9,11)/t6-/m0/s1
InChIKeyYKTATPQJSNEWPX-LURJTMIESA-N
XLogP-0.60
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.60
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

2-[[(2R)-azocan-2-yl]methyl]guanidine;sulfuric acid
CID 53298638
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
[(2S)-azepan-2-yl]methanol
CID 870731
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
CID 176937281
CID 176937281
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
2-ethylpiperidine;hydrobromide
CID 131717239
2-pyrrolidin-2-ylethanamine
CID 14030009

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-piperidin-2-yl]methyl]guanidine?
The IUPAC name of 2-[[(2S)-piperidin-2-yl]methyl]guanidine (CID 129452487) is 2-[[(2S)-piperidin-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[[(2S)-piperidin-2-yl]methyl]guanidine?
The canonical SMILES for 2-[[(2S)-piperidin-2-yl]methyl]guanidine is NC(N)=NC[C@@H]1CCCCN1.
What is the InChIKey of 2-[[(2S)-piperidin-2-yl]methyl]guanidine?
The InChIKey is YKTATPQJSNEWPX-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N4/c8-7(9)11-5-6-3-1-2-4-10-6/h6,10H,1-5H2,(H4,8,9,11)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-piperidin-2-yl]methyl]guanidine?
2-[[(2S)-piperidin-2-yl]methyl]guanidine has a molecular weight of 156.23 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-piperidin-2-yl]methyl]guanidine is sourced from PubChem (CID 129452487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).