1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine

C9H19N5O — CID 143219836

IUPAC1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)N[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C9H19N5O/c1-12-9(11)13-7-3-2-4-14(6-7)8(15)5-10/h7H,2-6,10H2,1H3,(H3,11,12,13)/t7-/m1/s1
InChIKeyFHDJUTMSLOMIKY-SSDOTTSWSA-N
MW213.28 g/mol
LogP-1.53
Rot. Bonds2

About 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine

1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine (PubChem CID 143219836) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine
PubChem CID143219836
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)N[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C9H19N5O/c1-12-9(11)13-7-3-2-4-14(6-7)8(15)5-10/h7H,2-6,10H2,1H3,(H3,11,12,13)/t7-/m1/s1
InChIKeyFHDJUTMSLOMIKY-SSDOTTSWSA-N
XLogP-1.53
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.53
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

2-[(1-acetylpiperidin-4-yl)methyl]-1-[(2S)-butan-2-yl]guanidine
CID 95339254
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376889
N,N-dimethyl-2-[[propylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376967
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377252
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377253
N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377263
2-[[butylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109377361
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109377607
2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109378107
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109378634
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 109379125
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-propylacetamide
CID 109379126

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine?
The IUPAC name of 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine (CID 143219836) is 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine.
What is the SMILES notation for 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine?
The canonical SMILES for 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine is C/N=C(\N)N[C@@H]1CCCN(C(=O)CN)C1.
What is the InChIKey of 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine?
The InChIKey is FHDJUTMSLOMIKY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19N5O/c1-12-9(11)13-7-3-2-4-14(6-7)8(15)5-10/h7H,2-6,10H2,1H3,(H3,11,12,13)/t7-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine?
1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine has a molecular weight of 213.28 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine is sourced from PubChem (CID 143219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).