CID 174054628

C16H24BN2Na — CID 174054628

IUPAC—
SMILESCC1CCC(c2ccc3c(c2)CN(C)CC3)NC1.[B-].[Na+]
InChIInChI=1S/C16H24N2.B.Na/c1-12-3-6-16(17-10-12)14-5-4-13-7-8-18(2)11-15(13)9-14;;/h4-5,9,12,16-17H,3,6-8,10-11H2,1-2H3;;/q;-1;+1
InChIKeyBIDLAXMDOGHKPL-UHFFFAOYSA-N
MW278.18 g/mol
LogP-0.64
Rot. Bonds1

About CID 174054628

CID 174054628 (PubChem CID 174054628) has the molecular formula C16H24BN2Na and a molecular weight of 278.18 g/mol.

Molecular Properties

Compound NameCID 174054628
PubChem CID174054628
Molecular FormulaC16H24BN2Na
Molecular Weight278.18 g/mol
Exact Mass278.19
IUPAC Name—
SMILESCC1CCC(c2ccc3c(c2)CN(C)CC3)NC1.[B-].[Na+]
InChIInChI=1S/C16H24N2.B.Na/c1-12-3-6-16(17-10-12)14-5-4-13-7-8-18(2)11-15(13)9-14;;/h4-5,9,12,16-17H,3,6-8,10-11H2,1-2H3;;/q;-1;+1
InChIKeyBIDLAXMDOGHKPL-UHFFFAOYSA-N
XLogP-0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 5-0.64
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

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6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
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6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
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2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
2-fluoro-4-(5-methylpiperidin-2-yl)phenol
CID 164750952
2-(4-fluoro-1-methylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753774
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
2-methyl-9-[4-[(2S,5R)-5-methylpiperidin-2-yl]phenyl]-2,9-diazaspiro[5.5]undecane
CID 164751484
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696

Frequently Asked Questions

What is the IUPAC name of CID 174054628?
The IUPAC name of CID 174054628 (CID 174054628) is not available.
What is the SMILES notation for CID 174054628?
The canonical SMILES for CID 174054628 is CC1CCC(c2ccc3c(c2)CN(C)CC3)NC1.[B-].[Na+].
What is the InChIKey of CID 174054628?
The InChIKey is BIDLAXMDOGHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.B.Na/c1-12-3-6-16(17-10-12)14-5-4-13-7-8-18(2)11-15(13)9-14;;/h4-5,9,12,16-17H,3,6-8,10-11H2,1-2H3;;/q;-1;+1.
What are the key properties of CID 174054628?
CID 174054628 has a molecular weight of 278.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174054628 is sourced from PubChem (CID 174054628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).