CID 123975166

C15H23BN2 — CID 123975166

IUPAC—
SMILES[B]CCN1CCN(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C15H23BN2/c1-15(2,14-6-4-3-5-7-14)18-12-10-17(9-8-16)11-13-18/h3-7H,8-13H2,1-2H3
InChIKeyBBMRFNNSXNWKTM-UHFFFAOYSA-N
MW242.18 g/mol
LogP2.13
Rot. Bonds4

About CID 123975166

CID 123975166 (PubChem CID 123975166) has the molecular formula C15H23BN2 and a molecular weight of 242.18 g/mol.

Molecular Properties

Compound NameCID 123975166
PubChem CID123975166
Molecular FormulaC15H23BN2
Molecular Weight242.18 g/mol
Exact Mass242.20
IUPAC Name—
SMILES[B]CCN1CCN(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C15H23BN2/c1-15(2,14-6-4-3-5-7-14)18-12-10-17(9-8-16)11-13-18/h3-7H,8-13H2,1-2H3
InChIKeyBBMRFNNSXNWKTM-UHFFFAOYSA-N
XLogP2.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
CID 149041478
ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
CID 91212173
8-methyl-2-(2-phenylpropan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91443964
1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
CID 90692795
1-benzyl-4-tert-butylpiperazine
CID 3591937
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
CID 105059300
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976
2-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]-2-methylpropanenitrile
CID 116789396
tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate
CID 11822401
2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
CID 63343974
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490

Frequently Asked Questions

What is the IUPAC name of CID 123975166?
The IUPAC name of CID 123975166 (CID 123975166) is not available.
What is the SMILES notation for CID 123975166?
The canonical SMILES for CID 123975166 is [B]CCN1CCN(C(C)(C)c2ccccc2)CC1.
What is the InChIKey of CID 123975166?
The InChIKey is BBMRFNNSXNWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2/c1-15(2,14-6-4-3-5-7-14)18-12-10-17(9-8-16)11-13-18/h3-7H,8-13H2,1-2H3.
What are the key properties of CID 123975166?
CID 123975166 has a molecular weight of 242.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123975166 is sourced from PubChem (CID 123975166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).