CID 174928975

C16H30BNO2 — CID 174928975

IUPAC—
SMILES[B]OC(=O)C(CCCC)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C16H30BNO2/c1-4-5-6-15(16(19)20-17)14-8-11-18(12-9-14)10-7-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyKISNMNXAWGJDFP-UHFFFAOYSA-N
MW279.23 g/mol
LogP3.18
Rot. Bonds8

About CID 174928975

CID 174928975 (PubChem CID 174928975) has the molecular formula C16H30BNO2 and a molecular weight of 279.23 g/mol.

Molecular Properties

Compound NameCID 174928975
PubChem CID174928975
Molecular FormulaC16H30BNO2
Molecular Weight279.23 g/mol
Exact Mass279.24
IUPAC Name—
SMILES[B]OC(=O)C(CCCC)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C16H30BNO2/c1-4-5-6-15(16(19)20-17)14-8-11-18(12-9-14)10-7-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyKISNMNXAWGJDFP-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 53.18
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

2-(1-propylpiperidin-4-yl)hexanoic acid
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2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
CID 174928959
CID 174928959
CID 174952930
CID 174952930
CID 175323553
CID 175323553
CID 88582545
CID 88582545
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
1-decyl-4-propan-2-ylpiperidine
CID 166461232
CID 174952895
CID 174952895
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820

Frequently Asked Questions

What is the IUPAC name of CID 174928975?
The IUPAC name of CID 174928975 (CID 174928975) is not available.
What is the SMILES notation for CID 174928975?
The canonical SMILES for CID 174928975 is [B]OC(=O)C(CCCC)C1CCN(CCC(C)C)CC1.
What is the InChIKey of CID 174928975?
The InChIKey is KISNMNXAWGJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BNO2/c1-4-5-6-15(16(19)20-17)14-8-11-18(12-9-14)10-7-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of CID 174928975?
CID 174928975 has a molecular weight of 279.23 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174928975 is sourced from PubChem (CID 174928975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).