CID 153361606

C11H16BN3 — CID 153361606

IUPAC—
SMILES[B]c1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C11H16BN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3
InChIKeyFZBGVCRLQHSASZ-UHFFFAOYSA-N
MW201.08 g/mol
LogP-0.38
Rot. Bonds2

About CID 153361606

CID 153361606 (PubChem CID 153361606) has the molecular formula C11H16BN3 and a molecular weight of 201.08 g/mol.

Molecular Properties

Compound NameCID 153361606
PubChem CID153361606
Molecular FormulaC11H16BN3
Molecular Weight201.08 g/mol
Exact Mass201.14
IUPAC Name—
SMILES[B]c1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C11H16BN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3
InChIKeyFZBGVCRLQHSASZ-UHFFFAOYSA-N
XLogP-0.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.08
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565
2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
CID 173270392
1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
CID 117191402
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796

Frequently Asked Questions

What is the IUPAC name of CID 153361606?
The IUPAC name of CID 153361606 (CID 153361606) is not available.
What is the SMILES notation for CID 153361606?
The canonical SMILES for CID 153361606 is [B]c1ccc(CN2CCN(C)CC2)nc1.
What is the InChIKey of CID 153361606?
The InChIKey is FZBGVCRLQHSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of CID 153361606?
CID 153361606 has a molecular weight of 201.08 g/mol, XLogP of -0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153361606 is sourced from PubChem (CID 153361606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).