methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium

C16H26N2 — CID 87107185

IUPACmethanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
SMILES[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCCCC1
InChIInChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,2,4,7-8,11-13,17H2,1H3/t14-,16+/m0/s1
InChIKeyVJQYLGOWSNXLQL-GOEBONIOSA-N
MW246.40 g/mol
LogP2.20
Rot. Bonds5

About methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium

methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium (PubChem CID 87107185) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium.

Molecular Properties

Compound Namemethanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
PubChem CID87107185
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Namemethanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
SMILES[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCCCC1
InChIInChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,2,4,7-8,11-13,17H2,1H3/t14-,16+/m0/s1
InChIKeyVJQYLGOWSNXLQL-GOEBONIOSA-N
XLogP2.20
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
CID 132604880
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454

Frequently Asked Questions

What is the IUPAC name of methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium?
The IUPAC name of methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium (CID 87107185) is methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium.
What is the SMILES notation for methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium?
The canonical SMILES for methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium is [CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCCCC1.
What is the InChIKey of methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium?
The InChIKey is VJQYLGOWSNXLQL-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,2,4,7-8,11-13,17H2,1H3/t14-,16+/m0/s1.
What are the key properties of methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium?
methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium has a molecular weight of 246.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium is sourced from PubChem (CID 87107185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).