N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium

C15H24N3V- — CID 165400261

IUPACN,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium
SMILESCN(C)C(C)(C)C1CCCN(c2cc[c-]nc2)C1.[V]
InChIInChI=1S/C15H24N3.V/c1-15(2,17(3)4)13-7-6-10-18(12-13)14-8-5-9-16-11-14;/h5,8,11,13H,6-7,10,12H2,1-4H3;/q-1;
InChIKeyNGNAPFDGKPSCIV-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.44
Rot. Bonds3

About N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium

N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium (PubChem CID 165400261) has the molecular formula C15H24N3V- and a molecular weight of 297.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium
PubChem CID165400261
Molecular FormulaC15H24N3V-
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC NameN,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium
SMILESCN(C)C(C)(C)C1CCCN(c2cc[c-]nc2)C1.[V]
InChIInChI=1S/C15H24N3.V/c1-15(2,17(3)4)13-7-6-10-18(12-13)14-8-5-9-16-11-14;/h5,8,11,13H,6-7,10,12H2,1-4H3;/q-1;
InChIKeyNGNAPFDGKPSCIV-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol
CID 164926788
4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
CID 83128116
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]aniline
CID 97044380
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
N,N-dimethyl-2-[(2S)-4-(6-methyl-3-pyridinyl)morpholin-2-yl]propan-2-amine
CID 156652106
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
CID 173073573
2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
CID 83197349
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 172880679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium?
The IUPAC name of N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium (CID 165400261) is N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium.
What is the SMILES notation for N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium?
The canonical SMILES for N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium is CN(C)C(C)(C)C1CCCN(c2cc[c-]nc2)C1.[V].
What is the InChIKey of N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium?
The InChIKey is NGNAPFDGKPSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N3.V/c1-15(2,17(3)4)13-7-6-10-18(12-13)14-8-5-9-16-11-14;/h5,8,11,13H,6-7,10,12H2,1-4H3;/q-1;.
What are the key properties of N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium?
N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium has a molecular weight of 297.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2H-pyridin-2-id-5-yl)piperidin-3-yl]propan-2-amine;vanadium is sourced from PubChem (CID 165400261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).