CID 157041264

C7H14BNO — CID 157041264

IUPAC—
SMILES[B]N1CCC(O)C(CC)C1
InChIInChI=1S/C7H14BNO/c1-2-6-5-9(8)4-3-7(6)10/h6-7,10H,2-5H2,1H3
InChIKeyNVXDIKZLTPIWKG-UHFFFAOYSA-N
MW139.01 g/mol
LogP0.16
Rot. Bonds1

About CID 157041264

CID 157041264 (PubChem CID 157041264) has the molecular formula C7H14BNO and a molecular weight of 139.01 g/mol.

Molecular Properties

Compound NameCID 157041264
PubChem CID157041264
Molecular FormulaC7H14BNO
Molecular Weight139.01 g/mol
Exact Mass139.12
IUPAC Name—
SMILES[B]N1CCC(O)C(CC)C1
InChIInChI=1S/C7H14BNO/c1-2-6-5-9(8)4-3-7(6)10/h6-7,10H,2-5H2,1H3
InChIKeyNVXDIKZLTPIWKG-UHFFFAOYSA-N
XLogP0.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.01
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethylpiperidin-4-ol
CID 12250419
1,2,3-Trimethylpiperidin-4-ol
CID 3972739
trans-1,3-Dimethyl-4-piperidinol
CID 12250421
cis-1,3-Dimethyl-4-piperidinol
CID 93513514
1-Fluoro-3-methylpiperidin-4-ol
CID 150859833
1-Ethyl-2,3-dimethylpiperidin-4-ol
CID 5301327
3-Ethyl-1-(3-fluoropropyl)piperidin-4-ol
CID 114510799
3-Ethyl-1-(2-fluoroethyl)piperidin-4-ol
CID 114510846
3-(2-Fluoroethyl)-1-methylpiperidin-4-ol
CID 115012667
cis-1,3-Dimethylpiperidin-4-OL
CID 12250420
[4-(1-Hydroxy-2-methylpropyl)piperidin-1-yl]-methylborinic acid
CID 18337618
3-Ethyl-1-methylpiperidin-4-ol
CID 18730022

Frequently Asked Questions

What is the IUPAC name of CID 157041264?
The IUPAC name of CID 157041264 (CID 157041264) is not available.
What is the SMILES notation for CID 157041264?
The canonical SMILES for CID 157041264 is [B]N1CCC(O)C(CC)C1.
What is the InChIKey of CID 157041264?
The InChIKey is NVXDIKZLTPIWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO/c1-2-6-5-9(8)4-3-7(6)10/h6-7,10H,2-5H2,1H3.
What are the key properties of CID 157041264?
CID 157041264 has a molecular weight of 139.01 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157041264 is sourced from PubChem (CID 157041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).